MARTINDALE'S CALCULATORS ON-LINE CENTER CHEMISTRY CENTER CHEMISTRY: R-Z (Calculators, Applets, Spreadsheets, and where Applicable includes: Courses, Manuals, Handbooks, Simulations, Animations, Videos, etc.)

US/Pacific: Friday, November 6, 2009 Sydney, Australia: Saturday, November 7, 2009 File Download Time Calculator Author, E-Mail, Privacy Policy & Disclaimer Currently the Calculators On-Line Center contains over "23,785" Calculators & Spreadsheets, over "3,710" Courses, Lectures, Manuals, Handbooks, & "1,000's" of Movies, Videos, Simulations & Animations

CHEMISTRY: R-Z (Course, Lectures, Databases, Animations, Simulations, Calculators, Applets, Spreadsheets, 3D Modeling, Videos/Movies & Audio/Sound, etc.) Radiocarbon Dating ~ Redox ~ SAS/SANS/SAXS ~ Soil Chemistry Solid State Chemistry ~ Solubility ~ Spectroscopy ~ Spectrum Analysis Statistical Mechanics ~ Steam Properties ~ Stoichiometric Calculations Surface Science ~ Synthetic Chemistry - Chemical Synthesis Temperature Thermometry & Thermocouple Thermodynamics (Thermochemical, Thermophysical, Heat Conduction & Transfer Statistical Thermodynamics, Thermobarometry, etc.) Theoretical Chemistry Thermophysical Properties of Air & Fluid Systems Vacuum Pumps/Guages ~ Viscosity ~ X-ray Interactions with Matter Radioactivity - Radiation Chemistry Center Calculators On-Line Center

Radiocarbon Dating RADIOCARBON CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS RADIOCARBON DATING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS CARBON 14 DATING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS CALIB RADIOCARBON CALIBRATION (JAVA APPLET) - M. Stuiver, P.J. Reimer & R. Reimer, CALIB 14C Calibration Program, Queen's University of Belfast, Belfast, Ireland VERY VERY VERY...EXTENSIVE. CALIB Radiocarbon Calibration "...makes the conversion from radiocarbon age to calibrated calendar years by calculating the probability distribution of the sample's true age. Graphics and a variety of options are available through the program's menus..." Calib Radiocarbon Calibration INPUT Values include: "...Radiocarbon Age; Standard Deviation; Delta R; Uncertainty in Delta R; Sample Counter; Lab Error Multiplier; Curve Smoothing in Years; etc..." For more information see the CALIB 14C Calibration Program For "Reservoir Correction for Marine Samples" see Marine Reservoir Correction Database Marine Reservoir Correction Database "...Organisms from marine (and lacustrine environments) have been exposed to different levels of 14C than their counterparts in the atmosphere..." HOW MUCH CARBON-14 IS LEFT - CALCULATOR - P. Hiscock, School of Archaeology and Anthropology, Australian National University, Australia How much Carbon-14 is Left Calculator "...The issue is often "how much carbon-14 remains to be measured in very old samples?", and has this carbon been contaminated with younger carbon? The problem is that as samples get older there is progressively less carbon-14 to be measured and any contamination will have increasingly dramatic effects on the estimated date..." For more information see On-Line Articles; Resources or the School of Archaeology and Anthropology RADIOCARBON DATING LECTURES WITH CALCULATORS & SIMULATIONS ACCELERATOR MASS SPECTROMETRY (AMS): PRINCIPLES OF RADIOCARBON DATING - Accelerator Mass Spectrometry Laboratory, Department of Physics, University of Arizona VERY EXTENSIVE. Multimedia Radiocarbon Measurements Lessons (Text & Images). Radiocarbon Dating "...is well known for its use in age dating of many kinds of materials. The method is applicable to almost any carbonaceous material which formed in the last 50,000 years..." For more information see Accelerator Mass Spectrometry or the Department of Physics Redox REDOX CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS REDOX REACTIONS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS REDOX REACTIONS CALCULATOR - Department of Chemistry, University of North Carolina, Chapel Hill & The Shodor Education Foundation, Inc. VERY EXTENSIVE. Redox Reactions Calculator Calculates "...the electrode potential for a half-reaction, with inputs being the concentrations and stoichiometric coefficients of the reactants and products, and the number of electrons transferred..." For more information see UNC-Chapel Hill Chemistry Fundamentals Program or The Shodor Education Foundation, Inc. Small Angle Scattering: SAS, SAXS & SANS SMALL ANGLE SCATTERING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SAXS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SAS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SMALL ANGLE SCATTERING (SAS) SIMULATIONS & CALCULATIONS - M. Kriechbaum, Institute of Biophysics & X-ray Structure Research, Österreichische Akademie der Wissenschaften (Austrian Academy of Sciences), Austria VERY VERY VERY...EXTENSIVE. For more information see Institute of Biophysics & X-ray Structure Research or the Austrian Academy of Sciences Some examples from over "20" Small Angle Scattering Calculators include I(h) Function Calculator I(h) Function Calculator "...calculates the scattering curve I(h) of models consisting of up to 8 spheres with different x/y/z coordinates and optionally different radii and different electron densities using the Debye-formula in reciprocal space..." P(r) Function Calculator P(r) Function Calculator "...calculates the distance-distribution function of concentric shell models (sphere D=3, disc D=2 or rod D=1). Enter the number of radii, the values for..." P(r) Function Calculator P(r) Function Calculator "...calculates the distance-distribution function of models consisting of up to 8 spheres with the same radius and optionally different electron densities and different x/y/z coordinates using the Debye-formula in real space..." Rg Calculator (Radius of Gyration Calculator) Radius of Gyration Calculator "...calculates the Radius of Gyration of concentric shell models. Enter the number of shells, the lengths of the respective semi-axis Rx(i), Ry(i) and Rz(i) (z is in the axis of rotation) and the..." Horizontal Slit Profile Calculator for SAXS Horizontal Slit Profile Calculator for SAXS "...Enter the values for the horizontal focus length (f), horizontal slit aperture (s), where s must be equal or bigger than f, distance focus-to-slit (d1) and distance slit-to-focus (d2),..." SMALL ANGLE NEUTRON SCATTERING CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SANS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS NCNR TOOLS - Center for Neutron Research (NCNR), Materials Science and Engineering Laboratory, NIST VERY VERY VERY...EXTENSIVE. For more information see Center for Neutron Research (NCNR) Examples from over "20" Neutron Calculators include Scattering Length Density Calculator for Thermal Neutron Cross Sections Scattering Length Density Calculator "...Given a chemical compound and a mass density in g/cm3 this applet can calculate the real and imaginary portions of the scattering length density of the material for neutrons and x-rays..." Calculate SANS Data on the Web Calculate SANS Data on the Web "...calculate SANS data using any of 20 different particle models. You can also smear the SANS data using a set of instrument parameters..." Calculate Neutron Reflectivities on the Web Calculate Neutron Reflectivities on the Web "...Make a model profile with layers, define the fronting and backing media and calculate neutron reflectivities..."

Soil Chemistry SOIL CHEMISTRY RELATED CENTERS FOR MORE SOIL CHEMISTRY COURSES, TEXTBOOKS, DATABASES, CALCULATORS, ETC. SEE AGRICULTURE: SOIL CHEMISTRY SOIL CHEMISTRY COURSES, TEXTBOOKS & LECTURES SOIL CHEMISTRY (SSC 102) - R.J. Zasoski, Department of Land, Air and Water Resources, College of Agricultural & Enviromental Sciences, University of California, Davis Multimedia Soil Chemistry Course (Text & Images). VERY VERY VERY...EXTENSIVE. Soil Chemistry Course includes "...interactions between soil solids, precipitates and solution phases including: mineralogy, ion exchange, adsorption, weathering and buffering, soil colloidal behavior, acidic and basic soils, salinity, and..." Examples of "Soil Chemistry" Course Sections include "...The Soil Solid Phase; Chemistry of the Soil Solution Phase; Solubility Relationship of Soil Components; Chemistry of Carbonate Systems; Exchange Reactions in Soil-Sediment Systems; Adsorption on Soil Colloids; Oxidation-Reduction Reactions in Soil Systems; etc..." For more information see Department of Land, Air and Water Resources CLAY MINERALOGY & GEOCHEMISTRY: GEOL4550/6550 - P.A. Schroeder, Department of Geology, University of Georgia Multimedia Clay Science Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Clay Science" Course Lectures include "...Theoretical X-ray powder diffraction; X-ray diffraction data processing; Hydrous layered silicates; Ionic radii and structural formula calculations; Associated mineral phases and their XRD identification; XRD identification of discrete clay minerals; Mixed-layer clays and their XRD identification; Quantitative XRD analysis of mineral mixtures; Reicprocal lattice, Electron diffraction; The geochemistry of clays; Equilibrium adsorption and ion exchange; Weathering reactions; etc..." For more information see Paul A. Schroeder's Home Page or the Department of Geology Solid State Chemistry SOLID STATE CHEMISTRY RELATED CENTERS FOR SEMICONDUCTORS & MICROELECTRONICS COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE SEMICONDUCTORS, MEMS, MICROELECTRONICS, MICROFABRICATION, MICROMACHINING, ETC. FOR CRYSTALLOGRAPHY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE CRYSTALLOGRAPHY FOR NANOTECHNOLOGY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE NANOTECHNOLOGY SOLID STATE CHEMISTRY COURSES INTRODUCTION TO SOLID STATE CHEMISTRY (REAL PLAYER) - D.R. Sadoway, Department of Materials Science and Engineering, MIT Multimedia Solid State Chemistry Course (Text, Images, Videos/Movies & Audio/Sound) VERY VERY VERY....EXTENSIVE. Examples of "Solid State Chemistry" Course Lectures include "...Rutherford model of the atom, Bohr model of hydrogen Video Lecture; Atomic spectra of hydrogen, matter/energy interactions involving atomic hydrogen Video Lecture; De Broglie, Heisenberg, and Schrödinger. The Aufbau Principle, Pauli Exclusion Principle, and Hund's Rules. Photoelectron Spectroscopy. Average Valence Electron Energy Video Lecture; Born- Haber cycle. Octet stability by electron sharing: covalent bonding Video Lecture; LCAO MO, Energy Level Diagrams for H 2 , He 2 , Li 2 . Hybridization, double bonds and triple bonds, paramagnetism and diamagetism Video Lecture; Characterization of atomic structure: the generation of x-rays and Moseley's Law Video Lecture; Amorphous solids, glass formation, inorganic glasses Video Lecture: silicates; etc..." For more information see Introduction to Solid State Chemistry Home Page; Donald R. Sadoway's Home Page or the Department of Materials Science and Engineering INTRODUCTION TO SOLID STATE CHEMISTRY (REAL PLAYER) - Donald R. Sadoway, Department of Materials Science and Engineering, MIT Multimedia Introduction to Solid State Chemistry Course (Text, Images, Videos/Movies & Audio/Sound). Examples from over "34" "Introduction to Solid State Chemistry" Course Video Lectures include "...Born-Haber Cycle, Octet Stability by Electron Sharing: Covalent Bonding, Lewis Structures Hybridization Video Lecture; The Shapes of Molecules, Electron Domain Theory, Secondary Bonding Video Lecture; Intrinsic and Extrinsic Semiconductors, Doping, Compound Semiconductors, Molten Semiconductors Video Lecture; Introduction to the Solid State, the 7 Crystal Systems, the 14 Bravais Lattices Video Lecture; Characterization of Atomic Structure: The Generation of X-rays and Moseley's Law Video Lecture; Organic Glasses - Polymers: Synthesis by Addition Polymerization and by Condensation Polymerization Video Lecture; etc..." For more information see the Introduction to Solid State Chemistry Home Page; Department of Materials Science & Engineering or the MIT OpenCourseWare SOLID STATE CHEMISTRY (FLASH) - Virtual Chemistry, Department of Chemistry, University of Oxford, U.K. Multimedia Solid State Chemistry Course (Text, Images, Videos/Movies & Audio/Sound). VERY VERY EXTENSIVE. Solid State Chemistry Course "...A comprehensive online Chemistry course covering solid state compounds..." Examples of "Solid State Chemistry" Course Chapters include "...Energy Bands and Band Gaps; Spectroscopic Techniques for Studying Gandstructure; Semiconductors; Doping of Semiconductors; The Mott-Hubbard Gap and Breakdown of the Band Model; Defects in Solids; Non-stoichiometry; etc..." For more information see the Virtual Chemistry - Virtual Laboratory or Department of Chemistry Solubility SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SOLUBILITY MEASUREMENTS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS IUPAC-NIST SOLUBILITY DATABASE - Data compiled and evaluated by the International Union of Pure and Applied Chemistry (IUPAC) and the Web database distributed by the Measurement Services Division, National Institute of Standards and Technology (NIST) Multimedia Solubility Database & Solubility Calculator (Text & Images). VERY VERY VERY...EXTENSIVE. IUPAC-NIST Solubility Database "...Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds..." IUPAC-NIST Solubility Database includes "...over 67,500 solubility measurements, compiled from 18 volumes of the IUPAC Solubility Data Series. There are about 1800 chemical substances in the database and 5200 systems, of which 473 have been critically evaluated. The database has over 1800 references..." For more information see NIST Standard Reference Data Web Server; NIST Online Databases; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SOLUBILITY CALCULATOR (JAVA APPLET) - B. Herreros, Department of Chemistry, University of Southern California (USC) Solubility Calculator "...for various Chemical Compounds..." For more information see Bruno's Java; Bruno Herreros Home Page or the Department of Chemistry

Spectroscopy

Spectroscopy Introduction to Spectroscopy Courses, Textbooks, Video Lectures Spectroscopy by Specialty Courses, Textbooks, Video Lectures, Databases, Calculators, etc. Spectroscopy Tools ~ Spectrometers ~ Spectrophotometry ~ Black Body Emission Auger Electron Spectrometry ~ Electrochemical Impedance Spectroscopy Electron Spectroscopy ~ Gamma Ray Spectroscopy Infrared Spectroscopy - IR Spectroscopy ~ Laser Spectroscopy Mass Spectroscopy ~ NMR & MRI Spectroscopy Roman Spectroscopy ~ Rutherford Backscattering Spectrometry Secondary Ion Mass Spectrometry ~ Spectroscopy Data Viewers & Databases Infrared and Raman spectra ~ Molecular Spectral Database for Microwaves NMR Spectra: Organic Structures NMR Spectra: Proteins, Peptides, Nucleic Acids Spectral Database for Organic Compounds ~ X-Ray Photoelectron Spectroscopy

Spectroscopy SPECTROSCOPY COURSES, TEXTBOOKS, LECTURES, SPECTROSCOPY TOOLS, ETC. SPECTROSCOPY (QUICKTIME, ETC.) - K.A. Nelson, Department of Chemistry, School of Science, & Hosted by the MIT TechTV, MIT Multimedia Spectroscopy Video Lectures (Text & Images). VERY VERY VERY...EXTENSIVE. Exampes of "Spectroscopy" Video Lectures include "...Chemistry 5.35: The Valentine's Day Lecture: Loving Spectroscopy Video Lecture; Chemistry 5.35: Spectroscopy in the Frequency and Time Domains Video Lecture; Chemistry 5.35: Linear and Nonlinear Spectroscopy Video Lecture; Chemistry 5.35: Fourier Transforms: Principles and Practice Video Lecture..." For more information see Kieth Nelson Video Courses; The Kieth Nelson Group or the Department of Chemistry INTRODUCTION TO SPECTROSCOPY - W.H. Reusch, Department of Chemistry, Michigan State University Multimedia Spectroscopy Course (Text, Images, Animations & Calculators). VERY VERY EXTENSIVE. Spectroscopy "...The Light of Knowledge is an often used phrase, but it is particularly appropriate in reference to spectroscopy. Most of what we know about the structure of atoms and molecules comes from studying their interaction with light (electromagnetic radiation). Different regions of the electromagnetic spectrum provide different kinds of information as a result of such interactions..." Examples of "Introduction to Spectroscopy" Course Chapters & Subchapters include Mass Spectrometry The Mass Spectrometer; Characteristics of Mass Spectra; Isotopes; Fragmentation Patterns; High Resolution Spectra; etc..." Ultraviolet-Visible Spectroscopy "...The Electromagnetic Spectrum; UV-Visible Absorption Spectra; The Importance of Conjugation; etc..." Infrared Spectroscopy "...Vibrational Spectroscopy; Group Frequencies..." Nuclear Magnetic Resonance Spectroscopy "...Proton NMR Spectroscopy; Carbon NMR Spectroscopy; etc..." For more information see Virtual Textbook of Organic Chemistry; Chemistry Courses or the Department of Chemistry SPECTROSCOPY TOOLS: 1H-WIZZARD (CHEMICAL SHIFTS): IR-WIZZARD (WAVE NUMBER); MS-WIZZARD (FRAGMENT OR LOSS MASS); ETC.. - Steffen's Science & Fun, Germany VERY VERY VERY...EXTENSIVE. Spectroscopy Courses include "...Applications of 1H NMR Spectroscopy..." Spectroscopy Calculators include "...1H-Wizard; IR-Wizard; MS-Wizard; Enhanced IR-Wizard (more than 2000 entries)..." Spectroscopy Databases & Calculators include 1H chemical shifts; 15N chemical shifts; 31P chemical shifts; NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." For more information see Steffen's Science & Fun SPECTROSCOPY CALCULATORS, APPLETS, SIMULATIONS, MODELS, SPREADSHEETS (XLS), ETC. INTERACTIVE COMPUTER MODELS FOR ANALYTICAL CHEMISTRY INSTRUCTION (SPREADSHEETS OPEN ONLINE WITH EXCEL, iWORK-NUMBERS, IBM LOTUS SYMPHONY, NEOOFFICE, OPENOFFICE CALC, ETC.) - Tom O'Haver, Professor Emeritus, Department of Chemistry and Biochemistry, College of Chemical and Life Sciences, University of Maryland Multimedia Interactive Computer Models for Analytical Chemistry Instruction (Text & Images). VERY VERY VERY...EXTENSIVE. Interactive Computer Models for Analytical Chemistry Instruction "...This is a collection of free, downloadable, interactive computer models and simulations of common analytical instruments and techniques..." Some examples of "Interactive Computer Models for Analytical Chemistry Instruction" Computer Models & Simulations include Examples of Spectroscopy Instrumentation and Methodology Computer Models & Simulations" include "...Color Temperature of a Blackbody Source; Animated Diffraction Grating Photomultiplier Light Measurement System; Error propagation in Analytical Calibration; etc..." Examples of "Molecular Spectrometry Computer Models & Simulations" include "...U.V. Visible Spectrophotometer; Instrumental Deviations from Beer's Law; Calibration Curve Fitting Methods in Absorption Spectroscopy; Fluorescence Spectroscopy Signal-to-Noise Ratio; Effect of Slit Width on Signal-to-Noise Ratio in Absorption Spectroscopy; etc..." Examples of "Atomic Spectrometry Computer Models & Simulations" include "...Signal and Photon SNR of Atomic Emission Spectrometer; Spectroscopy of Atomic Absorption; etc..." Examples of "Classical, Electrical, and Computational Methods Computer Models & Simulations" include "...Worksheet for Analytical Calibration Curve; Resolution of Capillary Chromatography; Triprotic Titration Data Analysis; Monoprotic Titration Curve Model; etc..." For more information see Tom O'Haver's Home Page or the Department of Chemistry and Biochemistry SPECTROSCOPY TOOLS: 1H-WIZZARD (CHEMICAL SHIFTS): IR-WIZZARD (WAVE NUMBER); MS-WIZZARD (FRAGMENT OR LOSS MASS); ETC.. - Steffen's Science & Fun, Germany VERY VERY VERY...EXTENSIVE. Spectroscopy Courses include: "...Applications of 1H NMR Spectroscopy..." Spectroscopy Calculators include: "...1H-Wizard; IR-Wizard; MS-Wizard; Enhanced IR-Wizard (more than 2000 entries)..." Spectroscopy Databases & Calculators include: 1H chemical shifts; 15N chemical shifts; 31P chemical shifts; NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." For more information see Steffen's Science & Fun SPECTROSCOPIC SIMULATOR (JAVA APPLET) - The Chemistry Collective & the Department of Chemistry, Carneigie Mellon University VERY EXTENSIVE. Spectroscopic Simulator "...simulates an infra-red spectrometer, allowing students to adjust the experimental and molecular parameters and observe the effects on the infra-red spectrum. Students may use the applet to first focus on each of the i ndividual concepts, within the context of the actual experiment, and then to integrate these concepts into a coherent whole..." For more information see Applets; The Chemistry Collective or the Department of Chemistry TIME-BANDWIDTH CALCULATOR (FEMTOSECOND LASERS FOR MICROMACHINING AND SPECTROSCOPY) - Clark-MXR, Inc. Time-Bandwidth Calculator "...will help you determine the Fourier Transform Bandwidth for your laser..." For more information see The Learning Center; Introduction to Micromachining with Femtosecond Laser Pulses or Clark-MXR, Inc.

SPECTROMETERS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS VIRTUAL SPECTROMETER - VIRSPEC (JAVA APPLET) - A. Zheludev, Neutron Scattering Group, Solid State Division, Oak Ridge National Laboratory (ORNL) VERY VERY EXTENSIVE. Spectrometer Calculator is "...a Java-based 3-axis spectrometer simulator/resolution calculator/false peak calculator...It calculates angles and simulates scans. It also calculates several type of false peaks. As the virtual spectrometer is moved, a Ben Sternlieb- style graphical resolution window is updated in real time, showing the resolution parameters and ellipses at current position..." For more information see Andrey Zheludev's Home Page or the Neutron Scattering Group SPECTROPHOTOMETRY LECTURES, LESSONS, CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SPECTROPHOTOMETRY (JAVA APPLETS) - D.N. Blauch, Department of Chemistry, Davidson College Multimedia Spectrophotometry Lessons & Calculators (Text & Images). VERY EXTENSIVE. Examples of Spectrophotometry Calculators include "...Spectrophotometry Calculator; Absorbance Spectrum Calculator; Effect of Cell Path Length Calculator; Effect of Concentration Calculator; Beer's Law Calculator; etc..." For more information see Chemistry Experiments and Exercises; David N. Blauch or the Department of Chemistry BLACK BODY EMISSION CALCULATORS & APPLETS BLACK BODY EMISSION CALCULATOR - W. McKinney & M. Martin, Electron Spectroscopy Group, Brookhaven National Laboratory VERY EXTENSIVE. Black Body Emission Calculator "...will calculate the emission as a function of wavelength from a black body (or grey body) source of a given size and temperature into a given solid angle..." For more information see Electron Spectroscopy Group Links; Electron Spectroscopy Group (Fourier Transform Infrared (FTIR) Spectroscopy & Angle Resolved Photoemission Spectroscopy (ARPES)) EXTENDED BLACKBODY CALCULATOR - Santa Barbara Focalplane, Lockheed Martin VERY EXTENSIVE. Extended Blackbody Calculator "...assumes a large (extended) blackbody source with specific lens (Optics), dewar window (Window), and filter transmission values. The filter can have up to two different wavelength bands..." For more information see Santa Barbara Focalplane, Lockheed Martin BLACK BODY CALCULATOR - O++, Mons-en-Baroeul, France VERY EXTENSIVE. Black Body Calculator INPUT Values include: "...Temperature; Lambda Minimum; Lambda Maximum; Emissivity; Radiance or Emittance; Peak Wavelength; Efficiency..." For more information see O++ AUGER ELECTRON SPECTROSCOPY COURSES, LECTURES, DATABASES, CALCULATORS, ETC. AUGER ELECTRON SPECTROMETRY - Evans Analytical Group Multimedia Auger Electron Spectrometry Lessons (Text & Images). VERY VERY EXTENSIVE. Auger electron spectroscopy (AES) "...identifies elemental compositions of surfaces by measuring the energies of Auger electrons. Auger electron emission is stimulated by bombarding the sample with an electron beam..." Examples of "Auger Electron Spectrometry" Lessons include "...Auger Process; Electron Beam Effects; Auger Analytical Volume; Auger Electron Spectroscopy; Uses for AES; Limitations of AES; Auger Electron Energies; Elemental Quantitation; Auger Electron Emission Probabilities; Auger Depth Profiling; etc..." For more information see Surface Analysis or the Evans Analytical Group AUGER PARAMETER ENERGIES - UK Surface Analysis Forum Multimedia Auger Parameters Energies Database (Text & Images). VERY VERY EXTENSIVE. Auger Parameters Energies Database "...contains the energies of the principal photoemission and Auger lines and their corresponding Auger parameters for most of the elements. Most entries include values for the element in many different chemical states..." For more information see Surface Science Databases or the Surface Analysis Forum: Surface Science Site SPECTROMETRICS SURFACE ANALYSES, (XPS, AES, and UPS) & INELASTIC MEANS FREE PATH (IMFP) - GRAPHERS & SIMULATIONS - Thermo Electron Corporation, France Multimedia X Ray Photoemission and Auger Spectrometries Database (Text & Images). VERY VERY VERY...EXTENSIVE. X Ray Photoemission and Auger Spectrometries "...The aim of this database is to quickly find publication references relative to XPS, AES and to be able to extract the only part of the publication connected to it. Keywords used for bibliography are often not enough precise to quickly obtain specific results. This database has to be considered as a new tool, complementary to the ones yet existing..." For more information see XPS, AES, UPS and ESCA X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia NIST X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. NIST X-ray Photoelectron Spectroscopy Database "...contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines..." For more information see NIST Standard Reference Data Web Server; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST)

ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY CALCULATORS & APPLETS ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY COURSES, LECTURES, LESSONS, ETC. ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY (EIS) - R.S. Rodger, Research Solutions & Resources Multimedia Electrochemical Impedance Spectroscopy (EIS) Lessons & Calculators (Text & Images). VERY VERY EXTENSIVE. For more information see Electrochemistry Resources or Research Solutions & Resources Some examples of Electrochemical Impedance Spectroscopy (EIS) Calculators include Inductance of a Straight Wire Calculator Inductance of a Straight Wire Calculator INPUT Values include: "...Wire Diameter; Wire Length; Permeability..." Capacitance and Coating Properties Calculator Capacitance and Coating Properties Calculator INPUT Values include: "...Find Coating (Dielectric Constant, Thickness, Capacitance); Coating Information (Dielectric Constant, Thickness, Capacitance)..." ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY (EIS) - Gamry Instruments Multimedia Electrochemical Impedance Spectroscopy (EIS) Lessons (Text & Images). VERY EXTENSIVE. Examples of "Electrochemical Impedance Spectroscopy (EIS)" Lessons include "...EIS Theory Primer; Physical Electrochemistry and Equivalent Circuit Elements; Extracting Model Parameters from Data; Kramers-Kronig Analysis; etc..." For more information see Gamry Instruments TUTORIAL ON ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY (EIS) - Argentum Solutions, Inc. Multimedia Electrochemical Impedance Spectroscopy (EIS) Lessons (Text & Images). VERY EXTENSIVE. Electrochemical Impedance Spectroscopy (EIS) "...(also known as: AC impedance or the electrochemical impedance technique) is an electrochemical technique that has gained wide acceptance for corrosion rate measurement, corrosion research, corrosion monitoring, and corrosion quality assurance..." Examples of "Electrochemical Impedance Spectroscopy (EIS)" Lessons include "...Analysis Using Simple Circuits; Constant Phase Element; Corrosion Rate Estimation; Two Capacitive Relaxation Time Constants; Critical Criteria for Proper Spectra; Diffusion Impedance..." For more information see Argentum Solutions, Inc. ELECTRON SPECTROSCOPY LECTURES, LECTURES, CALCULATORS, ETC. ELECTRON SPECTROSCOPY: QUANTITATIVE ELECTRON SPECTROSCOPY - W. Werner, Surface & Plasma Technology, Institut für Allgemeine Physik, Vienna University of Technology, Austria Multimedia Quantitative Electron Spectroscopy: Electron Spectroscopy Techniques Lessons (Text & Images). VERY EXTENSIVE. Electron Spectroscopy Techniques "...are nowadays widely used for surface analysis. Signal electrons in electron spectroscopy have energies characteristic for the elements from which they are emitted. Often, the energy is even characteristic for the chemical state of the emitting atoms. Furthermore, the photionization process provides detailed insight in the electonic and magnetic structure of solid surfaces. Finally,..." Examples of "Electron Spectroscopy Techniques" Lessons include "...Elastic Electron Scattering; Inelastic Electron Scattering; Surface Sensitivity of Electron Beam Techniques; The Auger Effect; The Photoelectric Effect; X-ray Photoelectron Spectroscopy (XPS); Auger Electron Spectroscopy (AES); Elastic Peak Electron Spectroscopy (EPES); etc..." For more information see Wolfgang Werner's Home Page; Surface and Plasma Technology or the Institut für Allgemeine Physik GAMMA RAY SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS GAMMA CALCULATOR - Radiation Geophysics, Geological Survey of Canada VERY VERY EXTENSIVE. Gamma Calculator "...demonstrates the process of calculating equivalent ground concentrations of potassium (K), uranium (U) and thorium (Th) from measured raw count rates and spectrometer/system constants..." For more information see Radiation Geophysics CALCULATEUR GAMMA - Géophysique de rayonnement, Commission géologique du Canada VERY VERY EXTENSIVE. Calculateur Gamma "...montre comment les concentrations équivalentes au sol de potassium (K), d'uranium (U) et de thorium (Th) sont calculées d'après les taux de comptage bruts mesurés et les constantes des spectromètres/systèmes..." For more information see Géophysique du rayonnement GAMMA-RAY SPECTROMETRY CATALOGUE FOR Ge AND Si(Li) AND NaI (Tl) - Gamma-Ray Spectrometry Center, Idaho National Laboratory (INL) Multimedia Gamma-ray Spectrum Catalogue for Ge and Si(Li) and NaI (Tl) Database (Text & Images). VERY VERY VERY...EXTENSIVE. Gamma-ray Spectrum Catalogue for Ge and Si(Li) and NaI (Tl) Database "...These publications, which established standards for detector systems, experimental methods and reference spectra for both NaI (Tl) scintillation detectors and Ge(Li) - Si( Li) semiconductor devices,..." For more information see the < Gamma-Ray Spectrometry Center or the Idaho National Laboratory INFRARED SPECTROSCOPY COURSES, LECTURES, CALCULATORS, APPLETS, SIMULATIONS, ETC. IR SPECTROSCOPY COURSES, LECTURES, CALCULATORS, APPLETS, SIMULATIONS, ETC. INFRA-RED SPECTROSCOPY CALCULATORS, APPLETS, SIMULATIONS, ETC. IR Spectroscopy Lectures, Lessons, etc. ASSIGNING SPECTRA: IR & ROMAN (FLASH) - M. Anderson, Department of Chemistry, University of Oxford, U.K. Multimedia Spectra Lessons (Text, Images & Animations). VERY EXTENSIVE. Assigning Spectra "...an interactive tutorial on the analysis of IR and Raman Spectra using Group Theoretical methods..." Examples of "Spectra" Lessons include "...Selection Rules; Symmetry; Assigning Spectra; etc..." For more information see the Virtual Chemistry - Virtual Laboratory or Department of Chemistry FOURIER TRANSFORM INFRARED SPECTROSCOPOY - P.J. Eaton, REQUIMTE, Departamento de Química - Department of Chemistry, Faculdade de Ciências - Faculty of Science, Universidade do Porto, Portugal Mulimedia Fourier Transform Infrared Spectroscopy (FTIR) Lessons (Text & Images). Fourier Transform Infrared Spectroscopy (FTIR) "...learn about the principles behind FTIR, i.e. how it works, the advantages and disadvantages of FTIR..." For more information see Peter J. Eaton's Home Page; REQUIMTE; Departamento de Química - Department of Chemistry; Faculdade de Ciências - Faculty of Science or the Universidade do Porto IR SPECTROSCOPY - Organic Chemistry, Department of Chemistry, University of Colorado, Boulder, Colorado Multimedia IR Spectroscopy Lessons & Theory of Infrared Spectroscopy (Text & Images). VERY VERY EXTENSIVE. Infrared Spectroscopy "...Infrared radiation is that part of the electromagnetic spectrum between the visible and microwave regions. Infrared radiation is absorbed by organic molecules and converted into energy of molecular vibration, either stretching or bending. Different types of bonds, and thus different functional groups, absorb infrared radiation of different wavelengths..." For more information see Spectroscopy; Organic Chemistry Laboratory Topics; CU Boulder Organic Chemistry or the Department of Chemistry INFRA-RED SPECTROSCOPY: IR HELPER - Department of Chemistry, Colby College, Waterville, Maine Infra-Red Spectroscopy "...step-by-step tutorial on the interpretation of Infra-Red spectra..." For more information see NMR (CH255J); Chemistry Courses or the Department of Chemistry WEBSPECTRA: PROBLEMS IN NMR AND IR SPECTROSCOPY - C.A. Merlic, Department of Chemistry & Biochemistry, Division of Physical Sciences, UCLA Multimedia Problems NMR & IR Spectroscopy Lessons (Text & Images). VERY VERY EXTENSIVE. Problems NMR & IR Spectroscopy "...Interpretation of spectra is a technique that requires practice - this site provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret..." For more information see the Department of Chemistry & Biochemistry Infrared Spectra Databases - IR Databases IR SPECTRA SIMULATION (TELESPEC) - J. Schuur, P. Selzer & M.C. Hemmer, The J. Gasteiger Research Group, Computer-Chemie-Centrum and Institut für Organische Chemie (Institute for Organic Chemistry), Universität Erlangen-Nürnberg, Erlangen, Bundesrepublik Deutschland (Germany) Multimedia Infrared Spectra Database (Text & Images). VERY VERY EXTENSIVE. IR Spectra Simulation (TeleSpec) "...provides a tool for the simulation of infrared spectra, especially for compounds whose spectra are not available in any database..." For more information see Services; Computer-Chemie-Centrum (Computer Chemistry Center) or the Institut für Organische Chemie (Institute for Organic Chemistry) WAVENUMBER CALIBRATION TABLES FROM HETERODYNE FREQUENCY MEASUREMENTS - G. Maki and Joseph S. Wells, National Institute of Standards and Technology (NIST) Multimedia Wavenumber Calibration Tables from Heterodyne Frequency Measurement Database (Text & Images). VERY VERY VERY...EXTENSIVE. Wavenumber Tables for Calibration of Infrared Spectrometers "...is an atlas of molecular spectra and associated tables of wavenumbers from heterodyne frequency measurements for the calibration of infrared spectrometers. Many of the calibration tables have improved uncertainties due to recent contributions of workers who have made new sub-Doppler frequency measurements..." For more information see High-Accuracy Molecular (Spectroscopy) Wavelengths; Optical Frequency Measurements Group; Time & Frequency Division or the National Institute of Standards and Technology (NIST)

LASER SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS LINEAR MOLECULE SPECTRA: DIATOMIC MOLECULE SPECTRUM SIMULATION - C. Western, Laser Chemistry, Spectroscopy and Dynamics Group, School of Chemistry, University of Bristol, U.K. VERY EXTENSIVE. Diatomic Molecule Spectrum Calculator INPUT Values include: "...Rank of Transition; Maximum J; Temperature; Frequency Range; Band Origin; Upper State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); Lower State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); For more information see Spectroscopy of Transient Species or Colin Western's Home Page MASS SPECTROMETRY COURSES, LECTURES, CALCULATORS, APPLETS, ANIMATIONS, ETC. Mass Spectrometery Courses & Lectures MASS SPECTROMETRY FOR CHROMATOGRAPHERS - J.K. Hardy, Department of Chemistry, Buchtel College of Arts and Sciences, University of Akron MultimediaMass Spectrometry for Chromatographers Course (Text, Images & Animations). Mass Spectrometry for Chromatographers "...is designed as an introduction to the use of a Mass Spectrometer as a GC detector...." Examples of "Mass Spectrometry for Chromatographers" Course Subject Categories include "...The Mass Spec Detector; Mass Spectral Interpretation; GC/MS Data; etc..." For more information see The Virtual Classroom; HORDENET; James K. Hardy's Home Page or the Department of Chemistry MASS SPECTROMETRY & CHROMATOGRAPHY (CHEM 5181) - Jose-Luis Jimenez and Joel Kimmel, Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado Multimedia Mass Spectrometry & Chromatography Course (Text & Images). VERY VERY EXTENSIVE. Mass Spectrometry & Chromatography Course "...Mass spectrometry, including instrumentation, ionization techniques, and interpretation of mass spectra. Analytical separation processes, with special reference to the theory and practice of liquid and gas chromatography..." Examples of "Mass Spectrometry" Course Lectures include "...Introduction to Mass Spectrometry; Mass Analyzers I (TOFMS, Quadrupoles, Ion Traps, FTICR, Orbitrap); Ionization Techniques; etc..." For more information see the Department of Chemistry and Biochemistry INTRODUCTION TO MASS SPECTROMETRY (MS) - L. Gruber, Fraunhofer Institute for Process Engineering and Packaging IVV, Freising, Germany Multimedia Mass Spectrometery Lectures (Text & Images). Mass Spectrometery "...Mass spectrometers use the difference in mass-to-charge ratio (m/e) of ionized atoms or molecules to separate them from each other. Mass spectrometry is therefore useful for quantitation of atoms or molecules and also for determining chemical and structural information about molecules..." For more information see Mass spectrometry at the Fraunhofer IVV or the Fraunhofer Institute for Process Engineering and Packaging IVV Mass Spectrometery Calculators, Tools, Applets FTICR CALCULATOR - Amster Research Group, Department of Chemistry, University of Georgia VERY EXTENSIVE. FTICR Calculators include: "...Cyclotron Frequency Calculator; Fourier-Limited Mass Resolution Calculator; Transient Length Required for a Desired Mass Resolution Calculator; Low Mass Limit in Broadband Mode Calculator; Set Mass Range in Narrowband Mode Calculator; Transient Length, Number of Data Points, Bandwidth Calculator..." For more information see the Amster Research Group MASS SPECTROMETRY TOOLS - Department of Chemistry, Colby College, Waterville, Maine VERY VERY VERY...EXTENSIVE. For more information see Department of Chemistry Some examples of Mass Spectrometry Calculators include Fragment Finder Fragment Finder Calculator "...finds the possible formulas that match a given molar mass..." Isotope Cluster Isotope Cluster Calculator "...calculates the isotope pattern for a given molecular formula. It includes 3rd and 4th period representative and transition metal elements..." Metal Complex Finder Metal Complex Finder Calculator INPUT Values include: "...Metal 1 & 2 (Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, etc.); Ligand 1 (OAc, CO3, ox, tartrate, cit, acac); Ligand 2 (tris, Ala, Arg, Asn, Asp, etc.); Accessory Ligand 1 (NH3, H2O, OH, F, Cl, Br, etc.); Accessory Ligand 2; Accessory Ligand 3; Counter Ion; etc..." Pentanucleotide Mass Finder Pentanucleotide Mass Finder Calculator "...finds oligonucleotide sequences that match an input m/z. The oligonucleotide can have up to 5 bases. The nucleotides can be in their hydrogen or alkali metal ion forms..." Tripeptide Mass Finder Cross-linker Calculator "...Finds all possible cross links, digests the proteins, and lists the monoisotopic mass of each cross-linked peptide..." MASS SPECTROMETRY & BEYNON TABLE (JAVA APPLET) - D.N. Blauch, Department of Chemistry, Davidson College VERY EXTENSIVE. Mass Spectrometry Calculator & Beynon Table "...computes high resolution molecular masses and isotope peak abundances for ions and generates a Beynon table for a given mass number..." For more information see Chemistry Experiments and Exercises; David N. Blauch or the Department of Chemistry MASS SPECTROMETRY ADDUCT CALCULATOR - O. Fiehn, UC Davis Genome Center, University of California, Davis VERY EXTENSIVE. Mass Spectrometry Adduct Calculator "...allows you to identify some adduct ions from ESI-MS (electrospray) mass spectrometry measurements or other soft ionization techniques like CI-MS or FI-MS or FD-MS or APCI-MS..." For more information see Metabolomics or the Fiehn Research Laboratory or the UC Davis Genome Center MASS SPECTRUM ISOTROPE PATTERN CALCULATOR - A.K. Brisdon, Fluorine Chemistry, School of Chemistry, University of Manchester, U.K. Mass Spectrum Isotope Pattern Calculator calculates "...the mass spectrum isotope pattern for a compound or complex..." For more information see Chemistry Research Tool; Fluorine Chemistry, Alan Brisdon's Home Page or the School of Chemistry MASSSPECTATOR CALCULATOR: ADVANCED SYNTHETIC POLYMER MASS SPECTRAL DATA ANALYSIS - Center for Theoretical and Computational Materials Science, NIST VERY VERY EXTENSIVE. MassSpectator Calculator "...is a mathematical method that locates, and calculates the area beneath, peaks from mass spectra using only reproducible mathematical operations and no user-selected parameters. It makes no assumptions about peak shape and requires no smoothing or preprocessing of the data..." "...The input files must be simple ASCII text files of two columns: one for mass and one for ion intensity..." For more information see MassSpectator Calculator or the Center for Theoretical and Computational Materials Science ISOTOPE DISTRIBUTION CALCULATOR - Developed by J.J. Manura & D.J. Manura,, Scientific Instrument Services Isotope Distribution Calculator calculates "...the mass isotopes and their relative intensities and display the data both in chart or tabular form as well as in a mass spectrum chart form..." For more information see Mass Spec Tools or Scientific Instrument Services NUCLEIC ACIDS MASSPEC TOOLBOX - J.A. McCloskey, P.F. Crain, & J. Rozenski, Huntsman Cancer Institute, University of Utah VERY VERY EXTENSIVE. For more information see the Huntsman Cancer Institute Some examples of Nucleic Acids Massspec Calculators include Mongo Oligo Mass Calculator Oligonucleotide Mass Calculator "...includes mass calculation of oligonucleotides, CID fragments, endo- and exonuclease digestion. It contains extra output options and utilities for handling the input sequence and user residue assignment..." Oligo Composition Calculator Oligo Composition Calculator "...Finds nucleotide compositions from a given mass. User defined residues can be included..."

NMR & MRI SPECTROSCOPY COURSES, LECTURES, CALCULATORS, SIMULATIONS, ETC. NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY CALCULATORS & APPLETS MAGNETIC RESONANCE IMAGING SPECTROSCOPY CALCULATORS & APPLETS NMR & MRI RELATED CENTERS FOR NMR & MRI COURSES, TEXTBOOKS, LECTURES, ETC. SEE NMR & MRI FOR NMR PERIODICAL TABLES SEE PERIODICAL TABLES: NMR ADVANCED SPECTROSCOPY: APPLIED SPECTROSCOPY/NMR - Guillermo Moyna, Department of Chemistry & Biochemistry, University of the Sciences in Philadelphia (USP), Philadelphia, PA Multimedia Advanced NMR Spectroscopy Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Advanced Spectroscopy" Course Chapters include "...Introduction and Background Concepts; Data Aqcuisition and Relaxation; 1D Pulse Secuences; Polarization Transfer; Spin-Spin Coupling Analysis; 2D NMR Spectroscopy; NMR of Proteins; etc..." For more information see the Guillermo Moyna's Home Page or the Department of Chemistry & Biochemistry WEBSPECTRA: PROBLEMS IN NMR AND IR SPECTROSCOPY - C.A. Merlic, Department of Chemistry & Biochemistry, Division of Physical Sciences, UCLA Multimedia Problems NMR & IR Spectroscopy Lessons (Text & Images). VERY VERY EXTENSIVE. Problems NMR & IR Spectroscopy "...Interpretation of spectra is a technique that requires practice - this site provides 1H NMR and 13C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret..." For more information see the Department of Chemistry & Biochemistry NMR AND MRI RELATED TOOLS - SpectroscopyNow.com, John Wiley & Sons, Ltd. VERY VERY EXTENSIVE. For more information see the SpectroscopyNow.com Examples of NMR Calculators & MRI Calculators include Pulse Length/Power Level & Pulse length/field strength Calculators Pulse Length/Power Level Calculator INPUT Values include: "...Pulse Length Measured; Measured at Power Level; Pulse Length or Power Level..." Pulse Length/Field Strength Calculator INPUT Values include: "...Pulse Length or Field Strength..." Generalized Karplus Calculator Generalized Karplus Calculator INPUT Values include: "...To calculate a coupling constant for a given dihedral angle (q) simply change the value in the form. To change the equation either type in the new coefficients or select a Karplus equation from the list..." NMR Temperature Measurements Calculator NMR Temperature Measurements Calculator INPUT Values include: "...fill out the proton frequency and the frequency difference between two selected peaks depending from the thermometer used..." NMR SPECTROSCOPY TOOLS - Department of Chemistry, Colby College, Waterville, Maine VERY VERY VERY...EXTENSIVE. For more information see Department of Chemistry Some examples of NMR Spectroscopy Tools & Calculators include 1 Chemical Shift Prediction Calculator 1 Chemical Shift Prediction Calculator INPUT Values include: "...Functional Group (H, R- alkyl, R2C=CR-alkene, F, Cl, Br, etc...); Alpha Substituents; Beta Substituents; Gamma Substituents..." JD: Spin-Spin Splitting Simulation JD: Spin-Spin Splitting Calculator INPUT Values include: "...Operating Frequency; Environment (Shift-ppm; Number of Spins); Coupling Constants..." RAMAN SPECTROSCOPY LECTURES, LESSONS, CALCULATORS, SIMULATIONS, ETC. ASSIGNING SPECTRA (FLASH) - M. Anderson, Department of Chemistry, University of Oxford, U.K. Multimedia Spectra Lessons (Text, Images & Animations). Assigning Spectra "...an interactive tutorial on the analysis of IR and Raman Spectra using Group Theoretical methods..." Examples of "Spectra" Lessons include "...Selection Rules; Symmetry; Assigning Spectra; etc..." For more information see the Virtual Chemistry - Virtual Laboratory or Department of Chemistry ROTATIONAL RAMAN SPECTROSCOPY (JAVA APPLETS) - H. Cartwright, Physical and Theoretical Chemistry Lab, Department of Chemistry, Oxford University, U.K. VERY VERY EXTENSIVE. Rotational Raman Spectroscopy "...This experiment is based around interaction with a computer simulation of a Raman spectrum..." For more information see 6.05 Computational Raman Spectroscopy; Undergraduate Experiments: Second/Third Year Experiments; Undergraduate Practical Course in Physical Chemistry; Hugh Cartwright's Home Page or the Physical and Theoretical Chemistry Lab An example of Raman Spectroscopy Calculators include: Rotational Raman Spectroscopy Rigid Rotor Model Calculator Rotational Raman Spectroscopy Rigid Rotor Model Calculator "...uses the Rigid Rotor model to simulate the Rotational Raman Spectrum of an hypothetical molecule, excited with a 333nm laser...." RUTHERFORD BACKSCATTERING SPECTROSCOPY LECTURES, LESSONS, CALCULATORS, ETC. RUTHERFORD BACKSCATTERING SPECROMETRY - Evans Analytical Group Multimedia Rutherford Backscattering Spectrometry Lessons (Text & Images). VERY VERY EXTENSIVE. Examples of "Rutherford Backscattering Spectrometry" Lessons include "...Kinematics; Scattering Cross Sections; Metal Silicide Example; Layer Thickness Measurements; Elemental Concentrations; Straggling; Channeling; Density Effects; etc..." For more information see Surface Analysis or the Evans Analytical Group SECONDARY ION MASS SPECTROMETRY CALCULATORS & APPLETS SECONDARY ION MASS LECTURES, LESSONS, ETC. SECONDARY ION MASS SPECTROMETRY - Evans Analytical Group Multimedia Secondary Ion Mass Spectrometry Lessons (Text & Images). VERY VERY EXTENSIVE. Secondary Ion Mass Spectrometry Lessons include: "...Ion Beam Sputtering; Sputtering Effects; Secondary Ion Energy Distributions; Secondary Ion Yields; Relative Sensitivity Factors; RSF Tables; Depth Profiling; Depth Resolution; Bulk Analysis; Mass Spectra; Mass Interferences; Ion Imaging; etc..." For more information see Surface Analysis or the Evans Analytical Group

SPECTROSCOPY DATA VIEWERS & DATABASES Infrared and Raman Spectra Databases COMPUTED SPECTRAL DATA 3D-VISUALIZAION (COMSPEC 3D) - F. Oellien & Wolf-D. Ihlenfeldt, The J. Gasteiger Research Group, Computer-Chemie-Centrum and Institut für Organische Chemie (Institute for Organic Chemistry), Universität Erlangen-Nürnberg, Erlangen, Bundesrepublik Deutschland (Germany) Multimedia Database (Text & Images). VERY VERY EXTENSIVE. Computed Spectral Data 3D-Visualization (ComSpec3D) "...is an online service for the calculation and visualization of Infrared and Raman spectra and their corresponding normal modes..." "...All data related to the IR and raman spectra like frequencies and normal modes are based on quantum-mechanical calculations performed with the semi-empircal programm VAMP (PM3 method)..." For more information see Services; Computer-Chemie-Centrum (Computer Chemistry Center) or the Institut für Organische Chemie (Institute for Organic Chemistry) RAMAN SPECTRA DATABASE OF MINERALS AND INORGANIC MATERIALS (RASMIN) - National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Raman Spectra Database of Minerals and Inorganic Materials (Text & Images). VERY VERY VERY...EXTENSIVE. Available in English & Japanese. Raman Spectra Database of Minerals and Inorganic Materials "...Raman spectroscopy can offer valuable information on the physics and the chemistry of materials, such as phase transition, lattice dynamics, chemical reaction, identification, and more..." Raman Spectra Database of Minerals and Inorganic Materials Database includes: "... spectrum images in PDF format, wavenumber-intensity data in ASCII text, and mineral photos in JPEG format, etc..." For more information see Research Information Data Base or the National Institute of Advanced Industrial Science and Technology Molecular Spectral Databases MOLECULAR SPECTRAL DATABASE: DIATOMIC, TRIATOMIC & HYDROCARBON SPECTRAL DATABASES - National Institute of Standards and Technology (NIST) Multimedia Molecular Spectral Databases (Text & Images). VERY VERY VERY...EXTENSIVE. Molecular Spectral Databases include the "...Diatomic Spectral Database; Triatomic Spectral Database & the Hydrocarbon Spectral Database..." "...Each of the databases covers primarily the microwave region with some data available for the radio frequency region..." "...Rotational spectral lines for 121 diatomic molecules, 55 triatomic molecules, and 91 hydrocarbon molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given..." For more information see the NIST Physics Laboratory Physical Reference Data or the National Institute of Standards and Technology (NIST) NMR Spectra: Organic Structures Databases NMRSHIFTDB - Hosted by the: Cologne University Bioinformatics Center; Sponsored by: Max Planck Institute of Chemical Ecology; Deutsche Forschungsgemeinschaft (German Research Foundation) & Advanced Chemistry Development, Inc., (ACD/Labs) Multimedia Organic Structures Database (Text, Images & 3D Modeling). VERY VERY VERY...EXTENSIVE. NMRShiftDB "...is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties..." NMRShiftDB includes over "19,000" structures and over "23,000" spectra..." NMR Spectra: Proteins, Peptides, Nucleic Acids Databases BIOLOGICAL MAGNETIC RESONANCE DATA BANK (BMRB) - Department of Biochemistry, University of Wisconsin, Madison, Wisconsin Multimedia NMR Spectroscopic Database (Text & Images). Biological Magnetic Resonance Data Bank is a "...Repository for Data from NMR Spectroscopy on Proteins, Peptides, and Nucleic Acids..." Examples of "Biological Magnetic Resonance Data" Categories & Subcategories include Macromolecular types "...1H Chemical Shifts; 13C Chemical Shifts; 15N Chemical Shifts; 31P Chemical Shifts; Coupling Constants; Dipolar Couplings; Heteronuclear NOE Values; H-Exchange Rates; etc..." NMR Spectral Parameters; Kinetics; Thermodynamics; Restraints; Structure; Time-domain sets; Solid-state NMR; etc..." For more information see the Department of Biochemistry Spectral Database for Organic Compounds SPECTRAL DATA BASE SYSTEM FOR ORGANIC COMPOUNDS (SDBS) - National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Spectral Database for Organic Compounds Database (Text & Images). VERY VERY VERY...EXTENSIVE. Available in English & Japanese. Spectral Database for Organic Compounds Database "...is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows Electron Impact Mass spectrum (EI-MS); Fourier Transform Infrared Spectrum (FT-IR); 1H nuclear magnetic resonance (NMR) spectrum; 13C NMR Spectrum; Laser Raman Spectrum; Electron Spin Resonance (ESR) Spectrum..." Spectral Database for Organic Compounds Database INPUT Values include: Search by "...Compound Name; Molecular Formula; Molecular Weight; CAS Registry Number; SDBS Number; etc..." For more information see Research Information Data Base or the National Institute of Advanced Industrial Science and Technology (AIST) X-Ray Photoelectron Spectroscopy Databases X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia NIST X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. NIST X-ray Photoelectron Spectroscopy Database "...contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines..." For more information see NIST Standard Reference Data Web Server; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST)

Spectrum Analysis SPECTRAL ANALYSIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SPECTRAL MODELS: INTERACTIVE EXPERIMENTS (JAVA APPLETS) - Agilent Technologies VERY EXTENSIVE. Spectrum Analysis Amplitude & Frequency Modulation "...discusses the measurement of amplitude and frequency modulated signals using a spectrum analyzer. The basic theory behind AM and FM modulation including time and frequency domain representations is presented..." For more information see Agilent Technologies Statistical Mechanics STATISTICAL MECHANICS COURSES, LECTURES & TEXTBOOKS Statistical Mechanics Textbooks STATISTICAL MECHANICS: ENTROPY, ORDER PARAMETERS, AND COMPLEXITY (PDF) - James P. Sethna, Laboratory of Atomic and Solid State Physics, Department of Physics, Cornell University & Published by Claredon Press, Oxford, 2008 Multimedia Statistical Mechanics: Entropy, Order Parameters, and Complexity Textbook - 371 Pages (Text & Images). VERY VERY VERY...EXTENSIVE. Statistical Mechanics: Entropy, Order Parameters, and Complexity "...This text is careful to address the interests and back ground not only of physicists, but of sophisticated students and researchers in mathematics, biology, engineering, computer science, and the social sciences...." Examples of "Statistical Mechanics: Entropy, Order Parameters, and Complexity" Textbook Chapters include "...What is statistical mechanics?; Temperature and equilibrium; Entropy; Free energies; Quantum statistical mechanics; Order parameters, broken symmetry, and topology; Abrupt phase transitions; etc..." For more information see James P. Sethna's Home Page; Laboratory of Atomic and Solid State Physicsor the Department of Physics Statistical Mechanics Courses & Lectures STATISTICAL MECHANICS - Mark E. Tuckerman, Department of Chemistry and the Courant Institute of Mathematical Sciences, New York University Multimedia Statistical Mechanics Course (Text & Images). VERY VERY VERY...EXTENSIVE. Statistical Mechanics "...provies the connection between microscopic motion of individual atoms of matter and macroscopically observable properties such as temperature, pressure, entropy, free energy, heat capacity, chemical potential, viscosity, spectra, reaction rates, etc..." Examples from over "27" "Statistical Mechanics" Course Lectures include "...Classical microstates, Newtonian, Lagrangian and Hamiltonian mechanics, ensemble concept; Liouville's Theorem, non-Hamiltonian systems, the microcanonical ensemble; Estimators, energy fluctuations, the isothermal-isobaric ensemble; Structure and distribution functions in classical liquids and gases; Distribution functions and perturbation theory; Basic principles of quantum statistical mechanics; The generalized Langevin equation and vibrational dephasing; etc..." For more information see Mark E. Tuckerman's Home Page; Courant Institute of Mathematical Sciences or the Department of Chemistry STATISTICAL MECHANICS II (PHYSIS 212) - J. Moore, Department of Physics, University of California, Berkeley, & the Materials Sciences Division, Lawrence Berkeley Laboratory Multimedia Statistical Mechanics II Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples from over "20" "Statistical Mechanics II" Course Lectures include Collisional equilibria. Liouville's theorem for Hamiltonian systems; BBGKY hierarchy of evolution equations for n-particle distribution functions; Hydrodynamics; Correlation functions. Intro to rescaling; Landau theory. Ginzburg criterion. Critical exponents. Scaling hypothesis; Scaling hypothesis and rescaling transformations; Blume-Capel model: using RG to guess phase diagrams. 2D Ising self-duality; Gaussian model; etc..." For more information see More Group or the Department of Physics

Steam Properties STEAM CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS STEAM PROPERTIES CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS PROPERTIES OF WATER AND STEAM CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS PROPERTIES OF WATER AND STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Properties of Water and Steam Calculator "...allows you to determine the thermodynamic properties of steam. It uses the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam..." Properties of Water & Steam Calculator INPUT Values include: "...Temperature; Pressure..." Properties of Water & Steam Properties Calculator OUTPUT values include: "...Enthalpy; Internal Energy; Entropy; Specific Volume; Density; Isobaric Heat Capacity; etc..." For more information see webMathematica in Chemical Engineering; Brian G. Higgins' Home Page or the Department of Chemical Engineering & Materials Science THERMODYNAMIC PROPERTIES OF SATURATED STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Thermodynamic Properties of Saturated Steam Calculator "...allows you to determine the thermodynamic properties of saturated steam. It uses the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam..." Thermodynamic Properties of Saturated Steam Calculator INPUT Values include: "...Saturation Temperature (T) or Saturation Pressure (P); Units (SI or English)..." Thermodynamic Properties of Saturated Steam Calculator OUTPUT values include: "...Steam Saturation Curve (P vs. T); Steam Property; Value; Units..." For more information see webMathematica in Chemical Engineering; Brian G. Higgins' Home Page or the Department of Chemical Engineering & Materials Science THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT Values include: Species of Interest "...Water; Nitrogen; Hydrogen; Parahydrogen; Deuterium; Oxygen, Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..." Units "...Temperature; Pressure; Denstiy; Energy; Velocity; Viscosity; Surface Tension..." Type of Data "...Isothermal Properties; Isobaric Properties; Isochoric Properties; Saturation Properties..." Thermophysical Properties of Fluid Systems Calculator OUTPUT values include: Fluid Data; Auxiliary Data "...Internal Energy; Entropy; Critical Temperature; Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. For more information see Chemistry WebBook; NIST WebBook; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) STEAM TABLES CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS THERMODYNAMIC PROPERTIES OF SATURATED STEAM CALCULATORS & APPLETS THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS CALCULATORS & APPLETS THERMOPHYSICAL PROPERTIES OF WATER VAPOR CALCULATORS & APPLETS THERMODYNAMIC PROPERTIES OF SATURATED STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Thermodynamic Properties of Saturated Steam Calculator "...allows you to determine the thermodynamic properties of saturated steam. It uses the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam..." Thermodynamic Properties of Saturated Steam Calculator INPUT Values include: "...Saturation Temperature (T) or Saturation Pressure (P); Units (SI or English)..." Thermodynamic Properties of Saturated Steam Calculator OUTPUT values include: "...Steam Saturation Curve (P vs. T); Steam Property; Value; Units..." For more information see webMathematica in Chemical Engineering; Brian G. Higgins' Home Page or the Department of Chemical Engineering & Materials Science THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT Values include: Species of Interest "...Water; Nitrogen; Hydrogen; Parahydrogen; Deuterium; Oxygen, Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..." Units "...Temperature; Pressure; Denstiy; Energy; Velocity; Viscosity; Surface Tension..." Type of Data "...Isothermal Properties; Isobaric Properties; Isochoric Properties; Saturation Properties..." Thermophysical Properties of Fluid Systems Calculator OUTPUT values include: Fluid Data; Auxiliary Data "...Internal Energy; Entropy; Critical Temperature; Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. For more information see Chemistry WebBook; NIST WebBook; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) Stoichiometric Calculations STOICHIOMETRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS STOICHIOMETRY OF CHEMICAL REACTIONS CALCULATORS & APPLETS STOICHIOMETRY OF CHEMICAL REACTIONS (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Stoichiometry of Chemical Reactions Calculator (Stoichiometry Calculator) "...allows the user to specify the molecular species that particpate in a reaction (reactants and products). From this information the constraints on the reaction rates are determined that satisfy global stoichiometry..." For more information see webMathematica in Chemical Engineering; Brian G. Higgins' Home Page or the Department of Chemical Engineering & Materials Science STOICHIOMETRY SOLVER (JAVA APPLET) - R. Hammer, Department of Chemistry, University of Wisconsin, Madison VERY EXTENSIVSE. Stoichiometry Calculator INPUT Values include: "...Stock Solution; Desired Concentration; Volume; Volume of Stock Solution..." For more information see Interactive Chemistry; Hamers Group or the Department of Chemistry PYROTECHNIC STOICHIOMETRY CALCULATORS & APPLETS PYROTECHNIC STOICHIOMETRY CALCULATOR (JAVA APPLET) - C. Benton, Centre for Photonics and Photonic Materials, Department of Physics, Bath University, U.K. VERY EXTENSIVE. Pyrotechnic Stoichiometry Calculator INPUT Values include: Select Fuel "...Antimony Trisulphide; Dextrin; Hexamine; Potassium Benzoate; etc..." Select Oxidiser "...Ammonium Perchlorate; Barium Peroxide; Chromium (III) Oxide; Lead (II,IV) Oxide; Potassium Perchlorate; etc..." For more information see Chris Benton's Home Page or the Centre for Photonics and Photonic Materials

Surface Science SURFACE SCIENCE COURSES & LECTURES WITH ANIMATIONS & SIMULATIONS Undergraduate Surface Chemistry Courses & Lectures AN INTRODUCTION TO SURFACE CHEMISTRY - R. Nix, Surface Chemistry, Catalysis, Nanostructures and Solid Interfaces, School of Biological & Chemical Sciences, Queen Mary & Westfield College, University of London, U.K. Multimedia Surface Chemistry Course (Text, Images & Animations). VERY VERY EXTENSIVE. Surface Chemistry "...the study of physical and chemical phenomena that occur at the interface of two phases, including solid-liquid interfaces, solid-gas interfaces, solid-vacuum interfaces, and liquid-gas interfaces. It includes the fields of surface chemistry and surface physics..." Examples of "An Introduction to Surface Chemistry" Chapters & Subchapters include Structure of Metallic Surfaces "...Surface Structures; Energetics of Surfaces; Particulate Metals; etc..." Adsorption of Molecules on Surfaces "...How do Molecules Bond to Surfaces?; Kinetics of Adsorption; Adsorbate Geometries & Structures; etc..." The Langmuir Isotherm "...Derivation-from Equilibrium Considerations; Variation of Surface Coverage with T & P; etc..." Surface Analytical Techniques "...Surface Sensitivity & Specificity; Auger Electron Spectroscopy; Photoelectron Spectroscopy; Vibrational Spectroscopy; Secondary Ion Mass Spectroscopy; Temperature Programmed Techniques; etc...." Surface Imaging & Depth Profiling "...Electron Microscopy-SEM & SAM; Imaging XPS; SIMS Imaging & Depth Profiling; Auger Depth Profiling; Scanning Probe Microscopy; etc..." For more information see Surface Science or the School of Biological & Chemical Sciences ATOMS & MOLECULES AT SURFACES - P. Moriarty, School of Physics & Astronomy, University of Nottingham, U.K. Multimedia Surface Physics Course (Text, Images & Animations). VERY VERY EXTENSIVE. Atoms & Molecules at Surfaces "...covers the structural, electronic and vibrational properties of atoms and molecules at surfaces from both theoretical and experimental viewpoints..." Examples of "Atoms & Molecules at Surfaces" Course Chapters & Subchapters include Surface Structure "...Basic Surface Thermodynamics; Crystal Planes & Surfaces; Relaxation, Reconstruction & Surface Crystallography; Defects at Surfaces; etc...." Ultra High Vacuums/UHV "...Kinetic Theory: Revision, Mean Free Path and Impingement Rates; Pressure Measurement; etc..." Adsorption & Growth "...Physisorption; Chemisorption; Nucleation and Thin Film Growth; etc..." Surface States "...Free Electrons, Jellium and the Work Function; Tight Binding Model; Semiconductors and Surface States: Band Bending & Electron Counting; etc..." Techniques for Surface Analysis "...Chemical Analysis; Structural Analysis; Vibrational Spectroscopies; Electron Spectrometers; etc..." Scanning Tunnelling Microscopy "...Electron Tunnelling and Basic STM Operation; STM Design and Instrumentation; etc...." For more information see Philip Moriarty's Home Page or the School of Physics & Astronomy SURFACE ANALYSIS & MATERIALS CHARACTERIZATION - Evans Analytical Group Multimedia Surface Analytical Techniques Course, Applications, Presentations (Text, Images & Animations). Surface Analytical Techniques provides "...in-depth information on the theory and instrumentation in three key materials characterization techniques: Secondary Ion Mass Spectrometry (SIMS), Rutherford Backscattering Spectrometry (RBS), and Auger Electron Spectrometry (AES)..." For more information see Evans Analytical Group Examples of "Surface Analysis & Materials Characterization" Course Lessons, Presentations & Applications include Secondary Ion Mass Spectrometry Theory Secondary Ion Mass Spectrometry Instrumentation Rutherford Backscattering Spectrometry Theory Auger Electron Spectrometry Theory ELECTRON SPECTROSCOPY: QUANTITATIVE ELECTRON SPECTROSCOPY - W. Werner, Surface & Plasma Technology, Institut für Allgemeine Physik, Vienna University of Technology, Austria Multimedia Quantitative Electron Spectroscopy: Electron Spectroscopy Techniques Lessons (Text & Images). VERY EXTENSIVE. Electron Spectroscopy Techniques "...are nowadays widely used for surface analysis. Signal electrons in electron spectroscopy have energies characteristic for the elements from which they are emitted. Often, the energy is even characteristic for the chemical state of the emitting atoms. Furthermore, the photionization process provides detailed insight in the electonic and magnetic structure of solid surfaces. Finally,..." Examples of "Electron Spectroscopy: Quantitative Electron Spectroscopy" Lessons include "...Elastic Electron Scattering; Inelastic Electron Scattering; Surface Sensitivity of Electron Beam Techniques; The Auger Effect; The Photoelectric Effect; X-ray Photoelectron Spectroscopy (XPS); Auger Electron Spectroscopy (AES); Elastic Peak Electron Spectroscopy (EPES); etc..." For more information see Wolfgang Werner's Home Page; Surface and Plasma Technology or the Institut für Allgemeine Physik Graduate Surface Chemistry Courses & Lectures SURFACES AND THIN FILMS - J.A. Venables, Department of Physics, College of Liberal Arts and Sciences, Arizona State University; and Honorary Professor, Department of Physics and Astronomy, University of Sussex, U.K. Multimedia Surfaces and Thin Films Course (Text & Images). VERY VERY EXTENSIVE. Examples of Graduate "Surfaces and Thin Films" Course Chapters & Subchapters include Introduction to Surface Processes "...Surface Physics; Surface Energies and the Wulff Theorem; Kinetics versus Thermodynamics; Surface Reconstructions; etc..." Surfaces in Vacuum: UHV Techniques "...Kinetic Theory Concepts; Vacuum Concepts; UHV Hardware..." Techniques for Examining Surfaces "...Classification of Surface and Microscopy Techniques; Diffraction and Quasi-Elastic Scattering; Techniques for Chemical Analysis; Quantification of Auger Spectra; Microscopy-Spectroscopy: SEM, SAM, SPM; etc..." Electric and Magnetic Processes at Metal Surfaces "...Free Electron Theories and the Workfunction; Electron Emission Phenomena; Magnetic Processes at Surfaces; Conduction Processes at Surface; etc..." For more information see Graduate Course: Surfaces and Thin Films; Graduate Courses and Web-based Talks; John A. Venable's Home Page or the Department of Physics SURFACE SCIENCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS SURFACE STRUCTURE, DEPOSITION & ABSORPTION CALCULATOR - Surface Physics, Institut für Allgemeine Physik, Vienna University of Technology, Austria VERY VERY EXTENSIVE. Surface Structure, Deposition & Adsorption Calculator INPUT Values include: "...Element; Lattice Type; Lattice constant a; Surface orientation; Depostion of (Element; Density; Atomic/molecular mass); etc..." For more information see Surface Physics or the Institut für Allgemeine Physik CRYSTAL SURFACE ANALYSIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS FOR CRYSTAL SURFACE ANALYSIS CALCULATORS & DATABASES SEE CHEMISTRY CALCULATORS: CRYSTALLOGRAPHY SURFACE SCIENCE DATABASES FOR RELATED DATABASES SEE CHEMISTRY & PHYSICS DATABASES FOR RELATED CALCULATORS/DATABASES SEE SPECTROSCOPY FOR RELATED CALCULATORS/DATABASES SEE MICROSCOPY AUGER PARAMETER ENERGIES - UK Surface Analysis Forum Multimedia Auger Parameters Energies Database (Text & Images). VERY VERY EXTENSIVE. Auger Parameters Energies Database "...contains the energies of the principal photoemission and Auger lines and their corresponding Auger parameters for most of the elements. Most entries include values for the element in many different chemical states..." For more information see Surface Science Databases or the Surface Analysis Forum: Surface Science Site SPECTROMETRICS SURFACE ANALYSES, (XPS, AES, and UPS) & INELASTIC MEANS FREE PATH (IMFP) - GRAPHERS & SIMULATIONS - Thermo Electron Corporation, France Multimedia X Ray Photoemission and Auger Spectrometries Database (Text & Images). VERY VERY VERY...EXTENSIVE. X Ray Photoemission and Auger Spectrometries "...The aim of this database is to quickly find publication references relative to XPS, AES and to be able to extract the only part of the publication connected to it. Keywords used for bibliography are often not enough precise to quickly obtain specific results. This database has to be considered as a new tool, complementary to the ones yet existing..." For more information see XPS, AES, UPS and ESCA X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) DATABASE - C.D. Wagner, A.V. Naumkin, A. Kraut-Vass, J.W. Allison, C.J. Powell, J.R. Rumble Jr., National Institute of Standards and Technology (NIST) Multimedia NIST X-ray Photoelectron Spectroscopy Database (Text & Images). VERY VERY VERY...EXTENSIVE. NIST X-ray Photoelectron Spectroscopy Database "...contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines..." For more information see NIST Standard Reference Data Web Server; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST)

Synthetic Chemistry - Chemical Synthesis SYNTHETIC CHEMISTRY COURSES, TEXTBOOKS, LECTURES, ETC. CHEMICAL SYNTHESIS COURSES, TEXTBOOKS, LECTURES, ETC. SYNTHETIC ORGANIC CHEMISTRY I - R.L. Danheiser, Department of Chemistry, School of Science, MIT Multimedia Synthetic Organic Chemistry I Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Synthetic Organic Chemistry I" Course Lectures include "...Functional Group Transformations; Strategies for Synthesis; Carbanionic Synthons; Stereocontrolled Alkylation; Stereocontrolled Addition to Carbonyls; Addition of Allylmetals to Carbonyls; Stereocontrolled Aldol Reactions; etc..." For more information see Synthetic Organic Chemistry I Home Page; R.L. Danheiser's Home Page or the Department of Chemistry SYNTHETIC CHEMISTRY DATABASES, ETC. AL'S NOTEBOOK - Al Garofalo Multimedia Synthetic Chemistry Database (Text & Images). VERY VERY VERY...EXTENSIVE. Al's Notebook "...A collection of commonly used experimental procedures and other interesting stuff for synthetic chemists..." Examples of "Al's Notebook for Synthetic Chemists" Subject Categories include "...Abbreviations; Experimental Procedures; Solvent Traces in NMR Spectra; Stains for Thin Layer Chromatography; Reagent Concentrations; etc..." ORGANIC SYNTHESES - Editor in Chief: R.L. Danheiser, Organic Syntheses Multimedia Synthesis of Organic Compounds Database (Text & Images). VERY VERY VERY...EXTENSIVE. Organic Syntheses "...has provided the chemistry community with annual collections of detailed, reliable, and carefully checked procedures for the synthesis of organic compounds. Some procedures describe practical methods for the preparation of specific compounds of interest, while other procedures illustrate..." ORGANIC REACTIONS - Organic Chemistry Portal Multimedia Organic Reactions Databases (Text & Images). VERY VERY VERY...EXTENSIVE. Organic Reactions Databases include "...Name Reactions; Protecting Groups; Microwave Synthesis; Multicomponent Reactions; Organocatalysis; etc..." For more information see Organic Chemistry Portal SYNTHETIC CHEMISTRY DATABASE - SyntheticPages Multimedia Synthetic Chemistry Database (Text & Images). VERY VERY VERY...EXTENSIVE. SyntheticPages "...is a freely available interactive database of synthetic chemistry. We publish practical and reliable organic, organometallic and inorganic chemical synthesis, reactions and procedures deposited by synthetic chemists..." TOTAL SYNTHESES - H.J. Reich, Divison of Organic Chemistry, Department of Chemistry, University of Wisconsin, Madison, Wisconsin Multimedia Syntheses Database (Text & Images). VERY VERY VERY...EXTENSIVE. Total Syntheses "...The syntheses were selected for the inclusion of one or more key reactions that illustrate important transformation of general utility...: For more information see Organic Chemistry Info; Hans J. Reich's Home Page or the Divison of Organic Chemistry SYNTHESIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS AROMATIC COMPOUND SYNTHESIS CALCULATOR - Bob Hanson, Department of Chemistry, St. Olaf College Aromatic Compound Synthesis Calculator "...Select a reactant and a reagent to see the product of a reaction, or select a reactant and a product to search for a pathway. Once the pathway is displayed, click on a step number..." For more information see Organic Chemistry Toolkit; Chemistry Courses Toolkit or the Department of Chemistry SYNTHESIS CALCULATOR - S.C. Moratti, Melville Laboratory for Polymer Synthesis, Materials and Polymer Synthesis and Characterisation, Department of Chemistry, Cambridge University VERY EXTENSIVE. Synthesis Calculator "...will help you calculate the amounts needed for a chemical synthesis or to check a known synthesis..." Synthesis Calculator INPUT Values include: "...For Substance 1, 2, 3, 4 & 5 enter: Weight; Molecular Weight; Molar Ratio; Number of Moles; etc..." For more information see Steven C. Moratti's Home Page; Chemical Calculations or the Department of Chemistry Temperature, Thermometry, Thermocouple TEMPERATURE RELATED CENTERS FOR TEMPERATURE CONVERSION CALCULATORS SEE THE MATHEMATICS CALCULATOR CENTER: UNIT COVERSIONS TEMPERATURE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS TEMPERATURE SENSOR CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS IEC 751 PRT UTILITY - Isotech, U.K. EC 751 PRT Calculator INPUT Values include: "...Convert Resistance to Temperature Calculator; Coefficients; Calculate Custom Probe Coefficients; Select Ro or Rwtp..." For more information see Isotech RTD CALCULATOR (RESISTANCE TEMPERATURE DETECTORS CALCULATOR) - Capgo Pty Ltd Resistance Temperature Detectors (RTDs) "...rely on the predictable and repeatable phenomena of the electrical resistance of metals changing with temperature..." Resistance Temperature Detector Calculator INPUT Values include: "...Resistance Temperature Detector (RTD) Resistance; Resistance Temperature Detector (RTD) Resistance at 0 Degrees C.; Resistance Temperature Detector (RTD) Type; Temperature Units; Temperature..." For more information see Introduction to RTDs; Temperature; Online Resources or Capgo SENSOR CALC - Minco Products, Inc. VERY VERY EXTENSIVE. Sensor Calculator "...Online table generator for RTD's, thermocouples, and temperature sensitive heaters..." Sensor Calculators include: RTD Calculator: "...Calculate temperature and resistance tables for Minco's RTD Elements..." Heater Calculator: "...Calculate temperature and resistance tables for Minco's wire-wound..." Thermocouple Calculator: "...Calculate temperature and milivolt tables for Thermocouples based on..." For more information see Engineering Tools or Minco Products THERMISTOR CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS THERMISTOR CALCULATOR (JAVA APPLET) - Capgo Pty Ltd VERY EXTENSIVE. Thermistor Calculator INPUT Values include: "...Temperature Unit; Temperature; Calibration Points or Thermistors Constants; Resistance..." For more information see Thermistor Temperature Sensors; Introduction to Temperature Measurement; Temperature; Online Resources or Capgo THERMOCOUPLE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS THERMOCOUPLE CALCULATOR (JAVA APPLET) - Capgo Pty Ltd VERY EXTENSIVE. Thermocouple Calculator "...will compute the temperature to 0.1° C given the reference junction temperature, the measured thermocouple voltage and the thermocouple type..." For more information see Temperature; Online Resources or Capgo ZERO BALANCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS ZERO BALANCE CALCULATOR - Futek Advanced Sensor Technology, Inc. Zero Balance Calculator "...is used to determine the value of a resistor that, when places in parallel with the bridge, will balance the sensor's zero..." Zero Balance Calculator INPUT Values include: "...Bridge Resistance; Excitation; Zero Value..." For more information see Calculators or Futek Advanced Sensor Technology, Inc. Examples of other Sensor Calculators include Shunt Calibration Calculator Shunt Calibration Calculator INPUT Values include: "...Bridge Resistance; Desired Output..." Span Adjustment Calculator Span Adjustment Calculator INPUT Values include: "...Actual Output; Desired Output; Resistance (Excitation Leg)..." THERMOCOUPLE DATABASE ELECTROMOTIVE FORCE VS. TEMPERATURE THERMOCOUPLE DATABASE - Thermometry Group, Process Measurements Division, Chemical Science & Technology Laboratory, National Institute of Standards and Technology (NIST) Multimedia Thermocouple Database (Text & Images). VERY VERY VERY...EXTENSIVE. Thermocouple Database "...NIST reference functions and tables of thermocouple electromotive force (emf) versus temperature have been adopted as standards by the American Society for Testing and Materials (ASTM) and the International Electrotechnical Commission (IEC)..." For more information see Thermometry Group; Process Measurements Division; Chemical Science & Technology Laboratory; NIST Online Databases or the National Institute of Standards and Technology (NIST)

Thermodynamics

Thermodynamics for Students, Engineers & Scientists Courses, Lectures, Textbooks, Tools, etc. Thermochemical - Thermochemistry Thermodynamics & Thermophysical Properties Binary Phase Equilibria ~ Enzyme-Catalyzed Reactions Heat Conduction, Heat Transfer & Thermal ~ Inorganic Chemical Thermodynamics Liquid Helium Thermodynamic Properties Organic Compounds Hydration Properties ~ Psychrometric Statistical Thermodynamics ~ Thermal Gas-Phase & Chemical Reactions Thermobarometry Thermodynamics of the Internal Combustion Engine

Thermodynamics THERMODYNAMICS COURSES, TEXTBOOKS, CALCULATORS, TOOLS, ETC. FOR STUDENTS, ENGINEERS & SCIENTISTS Thermodynamics Courses & Textbooks THERMODYNAMICS - Z.S. Spakovszky, E.M. Greitzer, D. Quattrochi, & I.A. Waitz, MIT Gas Turbine Laboratory, Department of Aeronautics and Astronautics, MIT Multimedia Thermodynamics Course (Text & Images). VERY VERY VERY...EXTENSIVE. Thermodynamics "...is a science and, more importantly, an engineering tool used to describe processes that involve changes in temperature, transformation of energy, and the relationships between heat and work..." Examples of "Thermodynamics" Course Chapters include "...Introduction to Thermodynamics; The First Law of Thermodynamics; The First Law Applied to Engineering Cycles; Background to the Second Law of Thermodynamics; The Second Law of Thermodynamics; Applications of the Second Law; Entropy on the Microscopic Scale; Power Cycles with Two-Phase Media; Introduction to Propulsion; Integral Momentum Equation; Generating Heat: Thermochemistry; Conductive Heat Transfer; Convective Heat Transfer; etc..." For more information see Zoltan S. Spakovszky's Home Page; MIT Gas Turbine Laboratory or the Department of Aeronautics and Astronautics THERMAL PHYSICS: THERMODYNAMICS & STATISTICAL MECHANICS - Michael Gershenson, Department of Physics and Astronomy, School of Arts & Sciences, Rutgers University, the State University of New Jersey Multimedia Thermal Physics - Thermodynamics & Statistical Mechanics Course (Text & Images). Examples of "Thermal Physics: Thermodynamics & Statistical Mechanics" Course Lectures include "...Introduction, Temperature, Ideal Gas; Energy and Work, the 1st Law of Thermodynamics; Transport Phenomena; Macrostates and Microstates; Entropy and the 2nd Law of Thermodynamics; Entropy and Temperature; Heat Engines; Thermodynamic Potentials; The van der Waals Gas; Phase Transformations in Binary Mixtures; Chemical Equilibrium; Boltzmann Statistics; Canonical Ensembles; Degenerate Fermi Gas; Bose-Einstein Condensation; Debye Theory of Solids; etc..." For more information see Gershenson: Mesoscopic Physics and Quantum Computing; Michael Gershenson's Home Page or the Department of Physics and Astronomy FUNDAMENTALS OF THERMODYNAMICS - J. Karl Johnson, Department of Chemical & Petroleum Engineering, Swanson School of Engineering, University of Pittsburgh Multimedia Fundamentals of Thermodynamics Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Fundamentals of Thermodynamics" Course Lectures include "...Variables, Gibbs Phase Rule, and Laws of Thermodynamics; Gibbsien Equations; Legendre Transforms; Introduction to Statistical Mechanics; Statistics & Ensembles; Classical & Semi-classical Partition Functions; Chemical Equilibrium Constants and Nonideal Behavior; Virial Coefficients, Equations of State, and the Pair Correlation Function; Conformal Solutions Theory and Generalized Cubic EOS; etc..." For more information see the J. Karl Johnson's Home Page or the Department of Chemical & Petroleum Engineering THERMODYNAMICS & STATISTICAL MECHANICS - R. Fitzpatrick, Department of Physics, University of Texas, Austin, Texas Multimedia Thermodynamics & Statistical Mechanics Course (Text & Images). VERY VERY VERY...EXTENSIVE. Thermodynamics "...Thermodynamics is essentially the study of the internal motions of many body systems. Virtually all substances which we encounter in everyday life are many body systems of some sort or other (e.g., solids, liquids, gases, and light). Not surprisingly, therefore, thermodynamics is a discipline with an exceptionally wide range of applicability..." Examples of "Thermodynamics & Statistical Mechanics" Course Chapters include "...Probability Theory; Statistical Mechanics; Heat and Work; Statistical Thermodynamics; Classical Thermodynamics; Applications of Statistical Thermodynamics; Quantum Statistics; etc..." For more information see the Thermodynamics & Statistical Mechanics Course Home Page; Courses taught by Richard Fitzpatrick at UT Austin; Richard Fitzpatrick's Home Page or the Department of Physics Thermodynamics Tools, Calculators, Applets, Simulations, Lessons THE EXPERT SYSTEM FOR THERMODYNAMICS (TEST) - S. Bhattacharjee, Department of Mechanical Engineering, College of Engineering, San Diego State University VERY VERY VERY...EXTENSIVE. The Expert System for Thermodynamics "...Created for learning, teaching, and practicing thermodynamics, TEST offers analysis tools for property evaluation of hundreds of working substances, energy, entropy, and exergy analysis of open and closed systems, IC engines, gas and vapor power cycles, refrigeration, HVAC, combustion, chemical equilibrium, and gas dynamics..." For more information see The Expert System for Thermodynamics (Alternative URL) or the Department of Mechanical Engineering THE THERMAL WIZARD - MAYA Heat Transfer Technologies Limited, Montreal, Québec, Canada Multimedia Thermal Database & Thermal Calculators (Text & Images). VERY VERY VERY...EXTENSIVE. Thermal Wizard "...is developed and maintained by MAYA Heat Transfer Technologies in Montreal, Quebec, Canada. We hope you find it is a useful tool to help you understand common heat transfer problems and thermal phenomena. Although we try and test the tools to ensure quality, this tool is provided for your personal use..." Thermal Wizard includes: Material Properties Database "...Metals; Non-metals; Air; Gases; Water; Liquids; etc..." Conduction Calculators examples include "...Steady-state Conduction on Multilayer Isothermal Wall Calculator; Conduction Across Multilayered Isothermal Cylinder Calculator; Thermal Interface (Contact) Resistance and Temperature Difference Calculator; Rectangular Thin Plate Embedded in Semi-Infinite Medium Calculator; etc..." Convection Calculators examples include: "...Forced Convection on Isothermal Flat Plate in Free Stream Calculator; Forced Convection in the Fully Developed Region of a Duct Calculator; Forced Convection Across Isothermal Square Rod Calculator; Natural Convection in a Vertical Parallel Plate Channel Calculator; Natural Convection between Horizontal Concentric Cylinders Calculator; etc..." Radiation Calculators examples include: "...Radiation Between Parallel Rectangular Surfaces Calculator; Radiation between Parallel Disk Surfaces of Unequal Radius Calculator; etc..." Head Loss Coefficients Calculators examples include: "...Head Loss at a Duct Entrance Calculator; Head Loss Across a Thin Perforated Plate Calculator; Head Loss Across Louvers Calculator; etc..." For more information see MAYA Heat Transfer Technologies Limited

THERMOCHEMICAL DATABASES & THERMOCHEMISTRY DATABASES Thermochemistry THERMOCHEMISTRY DATABASE FOR HIGH-TEMP MATERIALS SYNTHESIS - Authors: M.D. Allendorf (Sandia National Laboratories, Livermore) & T.M. Besmann (Oak Ridge National Laboratory), Hosted by Sandia National Laboratories Multimedia Thermochemistry Database for High-Temp Materiasl Synthesis (Text & Images). VERY VERY VERY...EXTENSIVE. Thermochemistry Database for High-Temp Materiasl Synthesis "...provides thermochemistry for gas-phase and condensed species relevant to a wide range of high-temperature processes, including chemical vapor deposition (CVD), chemical vapor infiltration (CVI), catalysis, combustion, materials corrosion, and aerosol processing..." "...includes thermodynamic data (heats of formation, enthalpies, entropies, and heat capacities) for gas and condensed-phase species, thermodynamic models for specific condensed-phase material systems that account for non-ideal behavior in those systems, and..." For more information see Sandia National Laboratories Examples of "High-Temp Materiasl Synthesis" Databases include Gas-Phase Molecule Search Gas-Phase Selection: Select one or more items (1017 entries, sorted by Formula) Condensed-Phase Data Selection Thermochemical COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE (CCCBDB) - CALCULATED DATA - Computational Chemistry Group, National Institute of Standards and Technology (NIST) Multimedia Thermochemical Database (Text, Images, Calculations, etc...). VERY VERY VERY...EXTENSIVE. Computational Chemistry Comparison and Benchmark Database contains "...experimental and computational thermochemical data for a selected set of 631 gas-phase molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties..." Computational Chemistry Comparison and Benchmark Calculated Data includes: Geometric Calculated Data "...Cartesians, bond lengths and angles; Rotation and Moments of Inertia; Bond orders from AIM analysis; Point Group for a given molecule at different levels of theory; etc..." Vibrations Calculated Data "...Vibrational frequencies; Vibrational frequencies, intensities and reduced masses; Compare reduced masses for a given vibrational mode; Bad Vibrational Frequency calculations; etc..." Entropies Calculated Data Entropies and Integrated Heat Capacities at any temperature using calculated data; etc..." Energetics Calculated Data Energies in hartrees; Barriers to Internal Rotation; Nuclear repulsion Energies; etc..." Electrostatics Calculated Data Atomic charges; Electric dipole moments; Polarizabilities; etc..." Compare Calculations "...Compare calculated bond lengths bond lengths; Compare calculated vibrational intensities vibrations; Compare energy difference of a single point calculation; Calculated properties for several species; etc..." For more information see Computational Chemistry Comparison and Benchmarks Database; Computational Chemistry Group; NIST Online Databases or the National Institute of Standards and Technology (NIST) THERMOCHEMICAL AND CHEMICAL KINETIC DATA FOR FLUORINATED HYDROCARBONS - D.R.F Burgess, Jr., M.R. Zachariah, W. Tsang & P.R. Westmoreland, Chemical Science and Technology Laboratory, National Institute of Standards and Technology Multimedia Thermochemical Database & Chemical Kinetic Database for Fluorinated Hydrocarbons (Text & Images). VERY VERY VERY...EXTENSIVE. Thermochemical Database & Chemical Kinetic Database for Fluorinated Hydrocarbons "...Existing fluorinated hydrocarbon thermochemistry and kinetics were compiled from the literature and evaluated. For species where no or incomplete thermochemistry was available, these data were calculated through application of ab initio molecular orbital theory. Group additivity values were determined consistent with experimental and ab initio data. For reactions..." For more information see Chemical Kinetics Database on the Web; Process Measurements Division; Chemical Science and Technology Laboratory; NIST Physics Laboratory Physical Reference Data or the National Institute of Standards and Technology (NIST) THERMOCHEMICAL DATABASE OF GASES AND CONDENSED MATERIALS - National Institute of Materials and Chemical Research, National Institute of Advanced Industrial Science and Technology (AIST), Japan Multimedia Thermochemical Database (Text & Images). VERY VERY VERY...EXTENSIVE. Available in English & Japanese. Thermochemical Database of Gases and Condensed Materials "...presents information on shock compression, detonation properties in gases and condensed matter using thermodynamic data of initial density, enthalpy, heat of formation, chemical formula, etc..." For more information see Research Information Data Base or the National Institute of Advanced Industrial Science and Technology Thermochemical Databases include Combustion Properties on Flammable Gaseous Mixtures "...Combustion and explosion of ideal gases, mist and dust are calculated..." Explosive Hazards of Condensed Materials "...calculates detonation, explosion and explosive hazards..." Shock Wave Data of Condensed Media THERMO CHEMICAL PROPERTIES ESTIMATION (JAVA APPLETS) - GuanHua Chen, Department of Chemistry, University of Hong Kong, & Pirika.com VERY VERY EXTENSIVE. For more information see the Virtual Material and Process Simulation Center or Pirika - Java Chemistry Some examples from over "20" Thermo Chemical Properties Applets include Density Calculator Heat Capacity of GAS Calculator Wilson Large Rammda Fitting by Experimental Data Calculator Wilson Large Rammda Fitting by Experimental Data Calculator INPUT Values include: "...Antone Paramenters; Total Presure..." THERMODYNAMIC PROPERTIES DATABASES, CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS THERMOPHYSICAL PROPERTIES DATABASES, CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS MELTS - R.O. Sack, D. Ebel, M.S. Ghiorso, L. Hardy & P. Lichtner, OFM Research Inc. VERY VERY VERY...EXTENSIVE. Multimedia Thermodynamic Modeling of Phase Equilibria in Magmatic Systems Databases & Java Applets (Text & Images). MELTS is "...designed to facilitate thermodynamic modeling of phase equilibria in magmatic systems. It provides the ability to compute equilibrium phase relations for igneous systems over the temperature range 500-2000 °C and the pressure range 0-2 GPa..." Examples of MELTS Databases & Calculators include: Melts "...designed to facilitate thermodynamic modeling of phase equilibria in magmatic systems..." pMelts "...a revised calibration of the liquid thermodynamic model in MELTS and is optimized for mantle bulk compositions. pMELTS is calibrated from an extended experimental database that includes more extensive data..." Phase Properties Calculator "...allows the user to select a phase, optionally input its composition, convert between practical and thermodynamic components, and calculate thermodynamic properties of the phase as a function of temperature and pressure..." MELTS Database "...provides searchable access to the calibration database for pMELTS (a superset of the MELTS database) and allows the user to download the results of search queries..." Papale model for H2O-CO2 partitioning/solubility in magmas Calculator; Ghiorso and Evans (2008) Fe-Ti oxide geothermobarometer Calculator; etc. For more information see OFM Research THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT Values include: "...Species of Interest (Water; Nitrogen; Hydrogen; Parahydrogen; Deuterium; Oxygen, Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc.); Units (Temperature; Pressure; Denstiy; Energy; Velocity; Viscosity; Surface Tension); Type of Data (Isothermal Properties; Isobaric Properties; Isochoric Properties; Saturation Properties)..." Thermophysical Properties of Fluid Systems Calculator output values include: "...Fluid Data; Auxiliary Data (Internal Energy; Entropy; Critical Temperature; Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment); etc..." For more information see Chemistry WebBook; NIST WebBook; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) THERMODYNAMIC PROPERTIES OF SATURATED STEAM (WEBMATHEMATICA) - B.G. Higgins, Department of Chemical Engineering & Materials Science, College of Engineering, University of California, Davis VERY VERY EXTENSIVE. Thermodynamic Properties of Saturated Steam Calculator "...allows you to determine the thermodynamic properties of saturated steam. It uses the IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam..." Thermodynamic Properties of Saturated Steam Calculator INPUT Values include: "...Saturation Temperature (T) or Saturation Pressure (P); Units (SI or English)..." Thermodynamic Properties of Saturated Steam Calculator OUTPUT values include: "...Steam Saturation Curve (P vs. T); Steam Property; Value; Units..." For more information see webMathematica in Chemical Engineering; Brian G. Higgins' Home Page or the Department of Chemical Engineering & Materials Science THE MELTS SUPPLEMENTAL CALCULATOR - P. Asimow, Experimental Petrology Group, Geological and Planetary Sciences Division, California Institute of Technology (Caltech) VERY VERY EXTENSIVE. Melts Supplemental Calculator For solid phases of more than one endmember, "...(1) Converts composition in mole fraction of endmembers to weight percent oxides, an exact calculation. (2) Converts squares, etc. (3) Given T, P, and mole fractions of endmembers, computes the following thermodynamic data: Gibbs free energy G, Enthalpy H, Entropy S etc..." For more information see MELTS Supplemental Calculator README; Paul Asimow's Home Page or Experimental Petrology Group THERMODYNAMICS CALCULATORS - Quest Consultants Inc. VERY VERY VERY...EXTENSIVE. Examples of Thermodynamics Calculators include Thermodynamic Diagrams Calculator "...allows one to select a pure component or a mixture of components and produce a graph of pressure vs. volume with lines of constant temperature. A second graph is pressure vs. enthalpy with lines of constant temperature..." Thermodynamic Properties Calculator (with Final Pressure Other Than One Atmosphere) "...allows one to select a pure component or a mixture of components and determine the vapor-liquid split (if two-phase), the liquid and vapor densities, enthalpies, heat capacities, and compositions at an input temperature and pressure..." Thermodynamic Properties Calculator (for Light Hydrocarbons) "...designed to allow users to select a pure component or a mixture of components and determine the vapor-liquid split (if two-phase), the liquid and vapor densities, enthalpies, heat capacities, and compositions at an input temperature and pressure..." Dew Points and Bubble Points Calculator "...allows one to select a pure component or a mixture of components and calculate dew points and bubble points. This page is uses the Peng-Robinson equation of state to predict the properties of these mixtures..." For more information see Quest Consultants Inc.

BINARY PHASE EQUILIBRIA CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS BINARY PHASE EQUILIBRIA APPLET - P.D. Asimow, Experimental Petrology Group, Geological and Planetary Sciences Division, California Institute of Technology (Caltech) VERY EXTENSIVE. Binary Phase Calculator "...provides a representation of phase stability relationships in abinary system with up to 4 phases...&...will compute and display the G-X diagram in the panel at upper-right and isobaric and isothermal sections in the lower panels..." For more information see Binary Phase Equilibria Tutorial; Paul D. Asimow's Home Page or the Geological and Planetary Sciences Division ENZYME-CATALYZED REACTIONS DATBASES, CALCULATORS & APPLETS THERMODYNAMICS OF ENZYME-CATALYZED REACTIONS DATABASE - R.N. Goldberg, Y.B. Tewari, & M. Tung, Biocatalysis Program, Biospectroscopy Group, Biochemical Science Division, National Institute of Standards and Technology (NIST) Multimedia Thermodynamics of Enzyme-Catalyzed Reactions Database (Text & Images). Thermodynamics of Enzyme-Catalyzed Reactions "...play an important role in the prediction of the extent of reaction and the position of equilibrium for any process in which these reactions occur..." "...The data presented herein is limited to direct equilibrium and calorimetric measurements performed on these reactions under in vitro conditions. This is the principal thermodynamic information that is needed to determine the position of equilibrium of a given reaction..." Examples of "Enzyme Catalyzed Reactions" using predefined values include "...Reactant; Buffer; Enzyme; EC-Number; Method; pH; Cofactor; Evaluation; etc..." For more information see the Biocatalysis Program; Biospectroscopy Group; Biochemical Science Division; Thermophysical and Thermochemical; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) HEAT TRANSFER COURSES, LECTURES, MANUALS, TEXTBOOKS, ETC. HEAT CONDUCTION CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS HEAT TRANSFER CALCULATORS, APPLETS & SPREADSHEETS (XLS) THERMAL CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS Heat Transfer Courses, Lectures, Textbooks, etc. HEAT TRANSFER TEXBOOK - J.H. Lienhard IV (University of Houston) & J.H. Lienhard V (Department of Mechanical Engineering, Massachusetts Institute of Technology) Multimedia Heat Transfer Textbook - PDF, 762 Pages (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Heat Transfer" Textbook Chapters include "...Introduction; Heat Conduction Concepts, Thermal Resistance, and the Overall Heat Transfer Coefficient; Heat Exchanger Design; Analysis of Heat Conduction and some Steady One-dimensional Problems; Transient and Multidimensional Heat Conduction; Laminar and Turbulent Boundary Layers; Forced Convection in a Variety of Configurations; Heat Transfer in Boiling and other Phase-change Configurations; Radiative Heat Transfer; An Introduction to Mass Transfer; etc. J.H. Lienhard V or the Department of Mechanical Engineering HEAT TRANSFER (QUICKTIME & REALPLAYER) - Arunava Majumdar, Department of Mechanical Engineering, College of Engineering, University of California, Berkeley, and Director, Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory (LBNL) Multimedia Heat Transfer Video Course (Text, Images, Videos/Movies & Audio/Sound). VERY VERY VERY...EXTENSIVE. Heat Transfer Course "...covers transport processes of mass, momentum, and energy from a macroscopic view with emphasis both on understanding why matter behaves as it does and on developing practical problem solving skills..." Examples of "Heat Transfer" Course Video Lectures include "...1-D Steady State Heat Conduction Video Lecture; Resistance Networks Video Lecture; Fin Design and Performance Video Lecture; 2-D Steady State Heat Conduction Video Lecture; Transient Heat Conduction Video Lecture; Introduction to Convection Video Lecture; External Flows Video Lecture; Free Convection Video Lecture; Heat Exchangers Video Lecture; Radiative Exchange Between Black Surfaces; etc..." For more information see Arunava Majumdar's Home Page; UC Berkeley Webcasts or the Department of Mechanical Engineering HEAT TRANSFER - R.J. Pryputniewicz, Center for Holographic Studies and Laser micro-mechaTronics, Department of Mechanical Engineering, Worcester Polytechnic Institute Multimedia Heat Transfer Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Heat Transfer" Course Chapters include "...Heat-source systems; Cylinder with heat sources; Conduction-convection systems; Steady-state conduction - multiple dimensions; Mathematical analysis of 2D heat conduction; Numerical methods of analysis; Numerical formulation in terms of resistance elements; Accuracy considerations; Dimensional and uncertainty analyses; Flow across cylinders, spheres, and tube banks; Liquid-metal heat transfer; etc..." For more information see the Center for Holographic Studies and Laser micro-mechaTronics or the Department of Mechanical Engineering Heat Conduction Calculators, Applets, Simulations, etc. CONDUCTION APPLET (ALUMINUM, CARBON STEEL, COPPER, NICKEL STEEL, STAINLESS STEEL ETC.) - B. Willson & G. Hutcherson, Engines & Energy Conversion Laboratory (EELC), Department of Mechanical Engingeering, College of Engingeering, Colorado State University Conduction Calculator INPUT Values include: Materials "...Aluminum; Carbon Steel; Copper; Cast Iron; Nickel Steel; Stainless Steel; etc..." Thickness; Temperature..." For more information see Internal Combustion Engine Heat Transfer; Engine Web Pages; Bryan D. Willson's Home Page; Department of Mechanical Engingeering or the College of Engingeering HEAT CONDUCTION EXPERIMENT - M. Karweit, Department of Chemical Engineering, Johns Hopkins University Heat Conduction "...Heat flows through thermally conductive materials by a process generally known as 'gradient transport'. Gradient heat transport depends..." For more information see Virtual Engineering Heat Transfer Calculators, Spreadsheets (xls), Models, etc. HEAT TRANSFER MODELS - CALCULATORS - Microelectronics Heat Transfer Laboratory, Department of Mechanical Engineering, University of Waterloo, Waterloo, Ontario, Canada VERY VERY EXTENSIVE. Some examples from over "7" Heat Transfer Calculators include "...Circuit Boards: Effective Conductivity Model for Rectangular Heat Sources Calculator; Fluid Properties: Thermal Fluid Properties Calculator; Heat Sinks: Natural Convection for Rectangular Heat Sinks Calculator; Special Functions Calculator "...Calculates special mathematical functions, including Gaussian error and complementary error functions, gamma functions, and Bessel functions of integer or fractional order..." For more information see the Microelectronics Heat Transfer Laboratory SPREADSHEETS FOR HEAT TRANSFER (SPREADSHEETS OPEN ONLINE WITH EXCEL, iWORK-NUMBERS, IBM LOTUS SYMPHONY, NEOOFFICE, OPENOFFICE CALC, ETC.) - R.J. Ribando, Department of Mechanical and Aerospace Engineering, School of Engineering & Applied Science, University of Virginia VERY VERY VERY...EXTENSIVE. Examples from over "20" Heat Transfer Spreadsheets include: Two-Dimensional, Steady-State Conduction Calculator "...evaluates the analytical solution for steady-state conduction in a unit square with one boundary held at a different temperature than the other three and..." Planck's Law Calculator "...computes and displays the spectral blackbody emissive power for a number of source temperatures..." Radiation View Factors Calculators include: "...Perpendicular Plates Calculator; Coaxial Disks Calculator; Coaxial Cylinders Calculator; Parallel Rectangles Calculator..." Solution of Blasius Equation Calculator "...performs a numerical solution of the Blasius equation for flow in a laminar, self-similar, flat plate boundary layer. The Runge-Kutta integration scheme and shooting algorithm..." Internal-Flow Convection Correlations Calculator "...computes the Nusselt number for forced convection in a circular pipe as a function of the Reynolds (based on diameter) and Prandtl numbers..." One-Dimensional Compressible Flows Calculator "...includes worksheets for: (1) Isentropic flow with area change, (2) Normal shock functions, (3) Flow with friction (Fanno Line), and (4) Flow with heat addition (Rayleigh Line)..." For more information see Heat Transfer Tools: Educational Software for Heat and Mass Transfer; Robert J. Ribando's Home Page; Department of Mechanical and Aerospace Engineering or the School of Engineering & Applied Science Thermal Calculators, Applets, Simulations, Models, etc. THERMAL CALCULATORS (THERMAL RESISTANCE, HEAT CONDUCTION, FIN EFFICIENCY, ETC.) - Novel Concepts, Inc., Las Vegas, NV VERY VERY EXTENSIVE. For more information see Novel Concepts Some examples from over "8" Thermal Calculators include Cylinder Thermal Resistance Calculator Cylinder Thermal Resistance Calculator INPUT Values include: "...Radius; Height; Thermal Conductivity..." Slab Mass Thermal Resistance Calculator Slab Mass Thermal Resistance Calculator INPUT Values include: "...Width; Length; Height; Density; Specific Heat..." Pin Fin Efficiency Calculator Pin Fin Efficiency Calculator INPUT Values include: "...Radius; Height; Thermal Conductivity; Film Coefficient..." Unsteady State Heat Calculators, Applets, Spreadsheets (xls), etc. UNSTEADY STATE HEAT CONDUCTION APPLETS & EXCEL SPREADSHEET CALCULATORS (SPREADSHEETS OPEN ONLINE WITH EXCEL, iWORK-NUMBERS, IBM LOTUS SYMPHONY, NEOOFFICE, OPENOFFICE CALC, ETC.) - Andrey Solomin, Katholieke Universiteit Leuven, Belgium VERY VERY EXTENSIVE. For more information see Fysische transportverschijnselen (1106) & Fysische transport verschijnselen (1125) or Course Web Pages Some examples of Unsteady State Heat Conduction Calculators include Transient Conduction in Semi-Infinite Solid Transient Conduction in Semi-Infinite Solid Calculator INPUT Values include: "...TF; TI; Conductivity; Density; Specific Heat; Fluid Conversion Coefficient; Duration; Step Duration; Maximum Coordinate; etc..." Transient Conduction in an Infinite Plane Wall Transient Conduction in an Infinite Plane Wall Calculator INPUT Values include: "...TF; TI; Conductivity; Density; Specific Heat; Fluid Conversion Coefficient; Duration; Step Duration; Wall Width; etc..."

INORGANIC CHEMICAL THERMODYNAMICS CALCULATORS & APPLETS FACTSAGE: SEARCH - C.W. Bale, Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT), École Polytechnique de Montréal, Canada VERY VERY VERY...EXTENSIVE. Fact and FactSage Databases "...are the largest set of evaluated and optimized thermodynamic databases for inorganic systems in the world...." FactSage "...accesses both "solution" databases and "pure compound" databases. The former contain the optimized parameters for solution phases. The latter contain the properties of stoichiometric compounds, either obtained from optimizations or taken from standard compilations..." For more information see the Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT) FACTSAGE: SOFTWARE - C.W. Bale, Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT), École Polytechnique de Montréal, Canada VERY VERY VERY...EXTENSIVE. FactSage "...users have access to databases of thermodynamic data for thousands of compounds as well as to evaluated and optimized databases for hundreds of solutions of metals, liquid and solid oxide solutions, mattes, molten and solid salt solutions, aqueous solutions, etc..." With FactSage "...you can calculate the conditions for multiphase, multicomponent equilibria, with a wide variety of tabular and graphical output modes, under a large range of constraints. For example, general N-component phase diagram sections can be easily generated with a wide choice of axis variables; matte/metal/slag/gas/solid equilibria can be accurately calculated, tabulated and plotted for industrial systems; multicomponent predominance and EpH diagrams..." For more information see the Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT) ONE-METAL Eh VS pH POURBAIX DIAGRAM - C.W. Bale, Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT), École Polytechnique de Montréal, Canada VERY VERY EXTENSIVE. One-metal Eh vs pH Pourbaix Diagram Calculator INPUT Values include: Select Metal; Temperature; Molality; Limits of Axes "...Y-axis Eh volts: Maximum & Minimum & X-axis pH: Maximum & Minimum..." For more information see the Centre de Recherche en Calcul Thermochimique - Center for Research in Computational Thermochemistry (CRCT) Examples of other Thermodynamic Calculators include Aqualib-Web: Chemical equilibria of a dilute aqueous solution withan ideal gas and pure solids at 298.15 K Aqualib-Web "...Enter up to 3 reactants (including water) that contain a total of up to 5 different elements..." Equilib Web: Chemical Equilibria of an Ideal Gas with Pure Solids and Liquids Equilib Web "...Specify an equilibrium temperature, select the units, and enter up to 3 reactants containing a total of up to 5 different elements..." LIQUID HELIUM THERMODYNAMIC PROPERTIES CALCULATORS & APPLETS HELIUM 3 CALCULATOR (JAVA APPLET) - T. Haard, Low Temperature Laboratory, Department of Physics and Astronomy, Northwestern University VERY VERY EXTENSIVE. Helium 3 Calculator is "...based on the complete thermodynamic information in zero magnetic field calculated from D.S. Greywall..." Helium 3 Calculator INPUT Values include: "...Pressure Fixed or Range; Field Fixed or Range; etc..." For more information see Low Temperature Lab THERMODYNAMIC PROPERTIES OF NORMAL LIQUID HELIUM 3 (JAVA APPLET) - M. Kollar, Theoretical Physics III, Institute of Physics, University of Augsburg, Germany VERY VERY EXTENSIVE. Thermodynamic Properties of Normal Liquid Helium 3 Calculator INPUT Values include: "...Temperature; Pressure; Volume; etc..." For more information see Helium3Kalkulator ORGANIC COMPOUND HYDRATION PROPERTIES DATABASES ORGANIC COMPOUND HYDRATION PROPERTIES DATABASE (ORCHYD) - E.L. Shock, N.V. Plyasunova & A.V. Plyasunov, Group Exploring Organic Processes In Geochemistry (GEOPIG), School of Earth and Space Exploration and Department of Chemistry & Biochemistry, Arizona State University Multimedia Organic Compounds Hydration Properties Database (Text & Images). VERY VERY VERY...EXTENSIVE. Organic Compounds Hydration Properties Database "...presents data on the thermodynamic properties of neutral compounds in water..." Examples of "Organic Compounds Hydration Properties Database" Categories include "...Normal Alkanes; Branched Alkanes; Alkenes and Dienes; Alkylbenzenes; Cycloalkanes; Cycloalkenes; 1-Alcohols; Branched alcohols; Unsaturated alcohols; Ketones; Ethers; Monoterpenes; etc..." For more information see Everett Shock's Home Page; Group Exploring Organic Processes In Geochemistry (GEOPIG) PSYCHROMETRIC CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS PSYCHROMETRIC CALCULATOR (METRIC & ENGLISH) - G. Monachos, Monachos Engineering, Thessloniki, Hellas (Greece) Psychrometric Calculator Calculates "...psychrometric data either by entering the wet bulb temperature, the relative humidity or the dew point temperature..." Psychrometric Calculator INPUT Values include: "...Dry Bulb Temperature; Wet Bulb Temperature; Dew Point Temperature..." For more information see Calculators; Monachos Engineering (English Index) or Monachos Engineering PSYCHROMETRIC CALCULATOR - Linric Company Psychrometric Calculator INPUT Values include: "...Dry Bulb Temperature; Wet Bulb Temperature; Altitude..." For more information see Linric Company

STATISTICAL THERMODYNAMICS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS CALCULATION OF THE COEXISTENCE LINE WITH EQUATIONS OF STATE - T. Kraska, Institut für Physikalische Chemie (Institute for Physical Chemistry), Universität zu Köln (University of Cologne), Cologne, Germany VERY EXTENSIVE. Calculation of the Coexistence Line with Equations of State "...you can calculate the coexistence line of the liquid-vapour equilibrium with the van der Waals equation of state or the Carnahan-Starling-van der Waals equation of state..." Calculation of the Coexistence Line with Equations of State INPUT Values include: "...Equation of State; Substance Name; Calculation of a and b from; etc..." For more information see The Carnahan-Starling-van der Waals equation of state; Statistical Thermodynamics; Thomas Kraska's Home Page or the Institut für Physikalische Chemie STATISTICAL THERMODYNAMICS (JAVA APPLETS) - T. Kraska, Institut für Physikalische Chemie (Institute for Physical Chemistry), Universität zu Köln (University of Cologne), Cologne, Germany VERY VERY EXTENSIVE. For more information see Thomas Kraska's Home Page or the Institut für Physikalische Chemie Some examples from over "7" Statistical Thermodynamics Applets include Calculation of a Distillation Column "...number of plates which are necessecary for a certain separation problem can be calculated..." Distillation Column Calculator INPUT Values include: "...Mixture; Mole Fraction of the Feed; Mole Fraction of the Bottom Product; Mole Fraction of the Overhead Product; Relux Rate; Type of Feed; Amount of Feed..." Calculation of the Pair Correlation Function with the PY-OZ Equation Calculation of a PT-diagram with the CSvdW Equation of State "...You can calculate the pair correlation function g(r*) of the Lennard Jones fluid by numerically solving the Ornstein-Zernike equation with the Percus-Yevick approximation..." Calculation of a PT-diagram with the CSvdW Equation of State Calculation of a PT-diagram with the CSvdW Equation of State "...you can run a program which calculates PT projections of binary phase diagrams with the Carnahan-Starling-van der Waals equation of state. The program calculates the vapour pressure curves of both substances and the binary critical lines..." THERMAL GAS-PHASE CHEMICAL REACTIONS CALCULATORS & APPLETS CHEMICAL KINETICS DATABASE - National Institute of Standards and Technology (NIST) Multimedia Chemical Kinetics Database (Text & Images). VERY VERY VERY...EXTENSIVE. Chemical Kinetics Database "...includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these..." Chemical Kinetics Database "...contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs..." For more information see NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) CHEMICAL KINETICS DATABASE ON OXYGENATED VOC'S GAS-PHASE REACTIONS - Institut de Combustion Aérothermique Réactivité et Environment (ICARE), CNRS, Orléans, France Multimedia Chemical Kinetics Database on Oxygenated VOC's Gas Phase Reactions (Text & Images). VERY VERY VERY...EXTENSIVE. Chemical Kinetics Database on Oxygenated VOC's Gas Phase Reactions includes "...Saturated Oxygenates Compounds; Unsaturated Oxygenates Compounds; Nitrogen Containing Oxygenates Compounds; etc..." For more information see Institut de Combustion Aérothermique Réactivité et Environment (ICARE) CHEMRATE: A CALCULATIONAL DATA BASE FOR UNIMOLECULAR REACTION - V. Mokrushin & W. Tsang, National Institute of Standards and Technology (NIST) Multimedia Unimolecular Reation Calculators & Databases (Text & Images). VERY VERY VERY...EXTENSIVE. ChemRate is "...a program that contains data bases containing experimental results on unimolecular reactions, information pertaining to transition state and molecular structures necessary for the calculation of high pressure rate constants and thermal functions respectively..." Calculation of Unimolecular Reactions Calculators & Databases include: "...Transition States and Molecular Properties Database; Data Bases for Experimental Results Database; Density and Sum of States Specific Rates Calculator; Pressure Rate Constants Thermal Functions Calculator; etc..." For more information see Chemical Kinetics Database on the Web; NIST Physics Laboratory Physical Reference Data or the National Institute of Standards and Technology (NIST) EVALUATED KINETIC DATA - IUPAC Subcommittee for Gas Kinetic Data Evaluation, International Union of Pure and Applied Chemistry (IUPAC) Multimedia Kinetic Databases (Text & Images). VERY VERY VERY...EXTENSIVE. Evaluated Kinetic Data "...provides kinetic and photochemical data evaluated by the IUPAC Subcommittee for Gas Kinetic Data Evaluation..." Evaluated Kinetic Databases include Data sheets for gas-phase reactions of Ox, HOx, NOx, SOx, organic, halogenated inorganic and halogenated organic species; Data sheets for photolysis reactions of Ox, HOx, NOx, SOx and organic species; Data sheets for hetereogeneous reactions on solids; Data sheets for hetereogeneous reactions on liquids..." For more information see International Union of Pure and Applied Chemistry (IUPAC) NDRL/NIST SOLUTION KINETICS DATABASE - National Institute of Standards and Technology (NIST) Multimedia Solutions Kinetics Database (Text & Images). VERY VERY VERY...EXTENSIVE. NDRL/NIST Solution Kinetics Database "...presently contains 23,675 distinct records with a total of 29,141 rate constants..." "...Enter the reactant(s), product(s), and/or solvent(s) in the fields below. Compounds may be entered by formula, name, or CAS number..." For more information see Chemical Kinetics Database on the Web; NIST Physics Laboratory Physical Reference Data or the National Institute of Standards and Technology (NIST) RCDC KINETICS DATABASE & COMPLICATIONS OF CHEMICAL PROPERTY DATA - Author: K.P. Madden, NDRL Radiation Chemistry Data Center, Notre Dame Radiation Laboratory, Notre Dame University VERY VERY VERY...EXTENSIVE. RCDC Kinetics Databases & Compilations of Chemical Property Databases are "...data largely resulting from the techniques of pulse radiolysis and flash photolysis and related methods which have produced a large body of kinetic data for chemical reactions occurring in less than about 10-3 seconds..." Examples of Transient Species Databases include: "...Hydroxyl Radical; Hydrogen Atom; Hydrated Electron; Oxide Radical Anion; Singlet Oxygen Rates; Singlet Oxygen Quantum Yields; Reduction Potentials; Aliphatic Carbon-Centered Radicals; Inorganic Radicals; Transients from Metal Ions and Complexes; etc..." For more information see NDRL Radiation Chemistry Data Center THERMOBAROMETRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS GEOTHERMOBAROMETRY PAGE - THERMOBAROMETRY - G. Nichols, Department of Earth Sciences, Macquarie University, Sydney, Australia VERY VERY EXTENSIVE. Geothermobarometry Page - Thermobarometry Calculators Calculate pressures and temperatures for "...garnet-spinel-sillimanite-quartz; cordierite-spinel-sillimanite-quartz; garnet-cordierite-sillimanite-quartz; garnet-spinel-kyanite-quartz..." For more information see Geoff Nichols Home Page PRACTICAL ASPECTS OF MINERAL THERMOBAROMETRY - D. Waters, Department of Earth Sciences, University of Oxford, U.K. Multimeida Mineral Thermobarometry Course, Calculators, etc. (Text & Images). VERY VERY VERY...EXTENSIVE. Practical Aspects of Mineral Thermobarometry provides "...information, tutorial material and worked examples for petrology students interested in extracting pressure-temperature information from rocks. It is assumed that you have completed a typical undergraduate petrology course..." Examples of "Mineral Thermobarometry" Course Lessons include "...Microprobe Analyses; Chemical Mineralogy of Common Mineral Groups; Solid solutions, mixing models and activity calculations; etc..." THERMOCALC "...is a thermodynamic calculation software package for tackling mineral equilibria problems. It has two main components: the application itself, and the internally-consistent thermodynamic dataset it uses..." For more information see Dave Waters Home Page THERMODYNAMICS OF THE INTERNAL COMBUSTION ENGINE CALCULATORS & APPLETS INTERNAL COMBUSTION ENGINE THERMODYNAMIC OUTLINE - B. Willson & G. Hutcherson, Engines & Energy Conversion Laboratory (EELC), Department of Mechanical Engingeering, College of Engingeering, Colorado State University Multimedia Course with Applets (Text & Images). VERY VERY VERY...EXTENSIVE. Internal Combustion Engine Thermodynamics Calculators Categories include: Engine Parameters "...Slider Crank Model; Work..." Combustion "...Stoichiometry; Chemical Equilibrium..." Engine Cycle Models "...Model of Basic Otto Cycle; Finite Heat Release Otto Cycle; Finite Heat Release Otto Cycle with Heat Transfer..." For more information see Engine Web Pages; Bryan D. Willson's Home Page; Department of Mechanical Engingeering or the College of Engingeering Some examples from over "20" Internal Combustion Engine Thermodynamics Applets & Thermodynamics Calculators include Engine Performance Applet - Effect of Fuel Type Engine Performance Applet - Parametric Study Piston Cylinder Volume Applet Combustion Products Applet Carbon Dioxide Dissociation Applet Four Stroke Fuel Air Otto Cycle Heat Release Fraction Applet

Theoretical Chemistry THEORECTICAL CHEMISTRY COURSES, LECTURES, TEXTBOOKS, ETC. THEORETICAL CHEMISTRY (CEM 987): THE ELECTRIC AND MAGNETIC PROPERTIES OF MOLECULES (PDF) - J.F. Harrison, Department of Chemistry, Michigan State University Multimedia Theoretical Chemistry: The Electric and Magnetic Properties of Molecules Lectures (Text & Images). VERY VERY VERY...EXTENISVE. Examples from over "10" "Theoretical Chemistry: The Electric and Magnetic Properties of Molecules" Lectures include "...Polarizability of He and N2; Dipole Moments and the Hirshfeld Interpretation ; Rotational Stark Effect; Long Range Intermolecular Forces; Magnetostatics; Spin-Orbit Interaction; Current Density & Magnetic Field; etc..." For more information see Theoretical Chemistry Courses; Chemistry Courses; James F. Harrison's Home Page or the Department of Chemistry THEORETICAL CHEMISTRY (CEM 992): QUANTUM CHEMISTRY AND STATISTICAL THERMODYNAMICS II - J.F. Harrison, Department of Chemistry, Michigan State University Multimedia Theoretical Chemistry: Quantum Chemistry and Statistical Thermodynamics II Lectures (Text & Images). VERY VERY VERY...EXTENISVE. Examples from over "26" "Theoretical Chemistry: Quantum Chemistry and Statistical Thermodynamics II" Lectures include "...Lecture 3: Statistical Mechanics; Lecture 7: Thermodynamic Connection for the Grand Canonical Ensemble; Lecture 14: Non-Ideal Gas; Lecture 17: Potential of Mean Force. Closure; Diagrams (Qualitative) and Other Integral Equations; Lecture 24: Stochastic Approach; etc..." For more information see Quantum Chemistry and Statistical Thermodynamics II; Theoretical Chemistry Courses; Chemistry Courses; James F. Harrison's Home Page or the Department of Chemistry THEORECTICAL CHEMISTRY - J. Simons, Henry Eyring Center for Theoretical Chemistry, Department of Chemistry, University of Utah Multimedia Theoretical Chemistry Course (Text & Images). VERY VERY EXTENSIVE. Theoretical Chemistry Course is "...intended to provide college science majors with a brief introduction to the field of theoretical chemistry, both in a historical context and as it is practiced today..." Examples of "Theoretical Chemistry" Course Subject Categories include "...The Roles of Theory in Chemistry; The Laboratory-Theory Interface: What do Experiments Measure?; What is Present Day Theoretical Chemistry About?; etc..." For more information see Jack Simons Home Page or the Henry Eyring Center for Theoretical Chemistry DENSITY FUNCTIONAL THEORY - K. Burke, Heretical Physical and Computational Chemistry, Department of Chemistry, University of California, Irvine (UCI) Multimedia Density Functional Theory Textbook - PDF - 104 Pages (Text & Images). Graduate Course. Density Functional Theory "...is a completely different, formally rigorous, way of approaching any interacting problem, by mapping it exactly to a much easier-to-solve non-interacting problem. Its methodology is applied in a large variety of fields to many different problems, with the ground-state electronic structure problem simply being the most ubiquitous..." Examples from over "24" "Density Functional Theory" Textbook Chapters include "...Density Functional Theory; The Local Density Approximation; Spin; Simple Exact Conditions; Exchange-correlation Hole; Generalized Gradient Approximations; Orbital Functionals; Time-dependent Density Functional Theory; etc..." For more information see the Density Functional Theory Home Page; The Burke Research Group Home Page; Kieron Burke's Home Page or the Department of Chemistry Thermophysical Properties of Air & Fluid Systems THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS CALCULATORS & APPLETS THERMOPHYSICAL PROPERTIES OF FLUID SYSTEMS (JAVA APPLETS) - National Institute of Standards and Technology (NIST) VERY VERY VERY...EXTENSIVE. Thermophysical Properties of Fluid Systems Calculator INPUT Values include: Species of Interest "...Water; Nitrogen; Hydrogen; Parahydrogen; Deuterium; Oxygen, Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..." Units "...Temperature; Pressure; Denstiy; Energy; Velocity; Viscosity; Surface Tension..." Type of Data "...Isothermal Properties; Isobaric Properties; Isochoric Properties; Saturation Properties..." Thermophysical Properties of Fluid Systems Calculator OUTPUT values include: Fluid Data; Auxiliary Data "...Internal Energy; Entropy; Critical Temperature; Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. For more information see Chemistry WebBook; NIST WebBook; NIST Online Scientific Databases or the National Institute of Standards and Technology (NIST) Vacuum Pumps & Guages VACUUM CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS AVS REFERENCE GUIDE - AVS Science and Technology Society and Hosted by the American Intitute of Physics (AIP) VERY VERY EXTENSIVE. For more information see the American Intitute of Physics or the AVS Science and Technology Society Some examples from over "15" calculators include Refrigeration Calculator Throughput & Leak Rate Calculator Working Pressure Ranges of Vacuum Pumps Working Pressure Ranges of Vacuum Guages Optical Emission Spectral Lines by Wavelength in Nanometers Vapor Pressure Viscosity VISCOSITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS ADVANCED VISCOSITY CALCULATOR: CALCULATE VISCOSITY AT A GIVEN TEMPERATURE, WHEN VISCOSITY IS KNOWN AT TWO TEMPERATURES - Esko Industries Viscosity "...The viscosity of a liquid as a function of temperature can be approximated with the use of the Andrade correlation. Given two known temperature-viscosity points, the viscosity of a liquid can..." Viscosity Calculator INPUT Values include: "...Temperature (Celsius or Fahrenheit); Temperature #1; Viscosity #1; Temperature #2; Viscosity #2; Target Temperature..." For more information see Esko Industries ESTIMATION OF VISCOSITY (JAVA APPLET) - GuanHua Chen, Department of Chemistry, University of Hong Kong, & Pirika.com VERY EXTENSIVE. Estimation of Viscosity "...Resistance of a fluid to flow. This resistance acts against the motion of any solid object through the fluid and also against motion of the fluid itself past stationary obstacles. Viscosity also acts internally on the fluid between slower and faster moving adjacent layers..." For more information see the Virtual Material and Process Simulation Center or Pirika - Java Chemistry DYNAMIC VISCOSITY CONVERTER (METRIC OR ENGLISH) - Lenntech Water- & Luchtbehandeling Holding B.V., The Netherlands Viscosity Calculator "...You can see viscosity as the resistance. When the resistance gets higher,..." Viscosity Calculator INPUT Values include: "...Poiseuille; Poise; centiPoise; etc..." For more information see Calculators or Lenntech GAS VISCOSITY CALCULATOR - K. Edwards, LMNO Engineering, Research, and Software, Ltd. VERY EXTENSIVE. Gas Viscosity Calculator INPUT Values include: Gas "...Standard Air; Ammonia; Carbon Dioxide; Carbon Monoxide; Hydrocarbon Vapor; Hydrogen; Natural Gas; Nitrogen; Oxygen; Sulfur Dioxide..." Temperature "...Celsius; Fahrenheit; etc..." Viscosity Units "...Viscosity in centiPoise; Viscosity in poise; etc..." For more information see Fluid Flow Calculations KINEMATIC VISCOSITY CONVERTER - Lenntech Water- & Luchtbehandeling Holding B.V., The Netherlands Kinematic Viscosity "...is defined as the dynamic viscosity divided by density..." For more information see Calculators or Lenntech X-ray Interactions with Matter X-RAY INTERACTIONS WITH MATTER CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS X-RAY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS X-RAY SERVER - S. Stepanov, General Medicine and Cancer Institutes Collaborative Access Team (GM/CA-CAT), Advanced Photon Source (APS), Biosciences Division, Argonne National Laboratory (ANL) Multimedia X-Ray Database (Text, Images & Calculators). VERY VERY VERY...EXTENSIVE. For more information see Sergey Stepanov's Home Page; General Medicine and Cancer Institutes Collaborative Access Team (GM/CA-CAT); Biophysics Collaborative Access Team (BioCAT); Advanced Photon Source or the Argonne National Laboratory (ANL) Some examples of X-ray Calculators include Xoh X0h "...interpolates dielectric susceptibilities for crystals and other materials in X-ray range with the option to compare data from different databases..." X0h-search "...finds Bragg planes in crystals under various conditions..." GID_SL GID_SL "...calculates X-ray diffraction from strained crystals and multilayers for any Bragg-case geometry including out-of-plane cases, extremely asymmetric and..." TRDS_SL TRDS_SL "...calculates X-ray specular reflection and respective X-ray standing waves from multilayers with interface roughness and transition layers..." X-RAY INTERACTIONS WITH MATTER - Compiled by B.L. Henke, E.M. Gullikson & J.C. Davis, Center for X-Ray Optics, Lawrence Berkeley National Laboratory (LBNL) Multimedia X-Ray Interactions with Matter Database (Text & Images). VERY VERY VERY...EXTENSIVE. X-Ray Interactions with Matter "...tables are based on a compilation of the available experimental measurements and theoretical calculations..." For more information see Center for X-Ray Optics (CXRO) or Lawrence Berkeley National Laboratory (LBNL) Some examples of X-Ray Interactions with Matter Calculators include X-Ray Properties of the Elements X-Ray Properties of the Elements Calculator INPUT Values include "...Element (symbol or Z value); Energy..." Index of Refraction for a Compound Material Index of Refraction for a Compound Material Calculator INPUT Values include "...Chemical Formula; Density; Photon Energy or Wavelength Range..." X-Ray Attenuation Length of a Solid X-Ray Attenuation Length of a Solid Calculator INPUT Values include "...Chemical Formula; Density; Photon Energy, Wavelength or Grazing Angle Range; Bend Magnet Spectrum Bend Magnet Spectrum Calculator INPUT Values include "...Accelerator; Electron Energy; Storage Ring Current; Magnetic Field; Polarization; etc..." X-ray Reflectivity of a Thick Mirror X-ray Reflectivity of a Thick Mirror Calculator INPUT Values include "...Chemical Formula; Density; RMS Roughness; Polarization; Scan; etc..."

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