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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.) |
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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 |
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
Uncertainty in Delta R; Sample Counter; Lab Error Multiplier; Curve Smoothing in Years; etc..."
Marine Reservoir Correction Database
How much Carbon-14 is Left Calculator
Radiocarbon Dating
Redox
REDOX REACTIONS CALCULATOR - Department of Chemistry, University of North Carolina, Chapel Hill & The Shodor Education Foundation, Inc. VERY EXTENSIVE. Redox Reactions Calculator Calculates
Small Angle Scattering: SAS, SAXS & SANS
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
I(h) Function Calculator
P(r) Function Calculator P(r) Function Calculator
P(r) Function Calculator P(r) Function Calculator
Rg Calculator (Radius of Gyration Calculator) Radius of Gyration Calculator
Horizontal Slit Profile Calculator for SAXS Horizontal Slit Profile Calculator for SAXS
SMALL ANGLE NEUTRON SCATTERING 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)
Scattering Length Density Calculator
Calculate SANS Data on the Web Calculate SANS Data on the Web
Calculate Neutron Reflectivities on the Web Calculate Neutron Reflectivities on the Web
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SOIL CHEMISTRY COURSES, TEXTBOOKS & LECTURES
Soil Chemistry Course includes
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..." 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
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..." Solid State Chemistry
FOR CRYSTALLOGRAPHY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE CRYSTALLOGRAPHY FOR NANOTECHNOLOGY COURSES, TEXTBOOKS, CALCULATORS, ETC. SEE NANOTECHNOLOGY
Examples of Solid State Chemistry Lectures include:
Atomic spectra of hydrogen, matter/energy interactions involving atomic hydrogen Video Lecture; De Broglie, Heisenberg, and Schrödinger. The Aufbau Principle,
LCAO MO, Energy Level Diagrams for H 2 , He 2 , Li 2 . Hybridization,
Amorphous solids, glass formation, inorganic glasses Video Lecture: silicates; etc..." INTRODUCTION TO SOLID STATE CHEMISTRY: 2004 (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 Video Lectures include
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..." 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
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..." Solubility
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
SOLUBILITY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Oxygen Solubility Calculator determines
SOLUBILITY CALCULATOR (JAVA APPLET) - B. Herreros, Department of Chemistry, University of Southern California (USC) Solubility Calculator
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Spectroscopy Video Lectures include
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..." INTRODUCTION TO SPECTROSCOPY - W.H. Reusch, Department of Chemistry, Michigan State University Multimedia Spectroscopy Course (Text, Images, Animations & Calculators). VERY VERY EXTENSIVE. Spectroscopy
Characteristics of Mass Spectra; Isotopes; Fragmentation Patterns; High Resolution Spectra; etc..."
UV-Visible Absorption Spectra; The Importance of Conjugation; etc..."
Group Frequencies..."
Carbon NMR Spectroscopy; etc..." SPECTROSCOPY TOOLS: 1H-WIZZARD (CHEMICAL SHIFTS): IR-WIZZARD (WAVE NUMBER); MS-WIZZARD (FRAGMENT OR LOSS MASS); ETC.. - Institut für Chemie, Universität Potsdamm, Bundesrepublik Deutschland (Germany) Multimedia Spectroscopy Courses, Teaching Modules & Tools (Text, Images, Animations & Calculators). VERY VERY VERY...EXTENSIVE. Spectroscopy Courses include:
Enhanced IR-Wizard (more than 2000 entries)..."
NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Spectroscopy Courses include:
Enhanced IR-Wizard (more than 2000 entries)..."
NMR- Solvents; J(H,H)- Couplings; 13C chemical shifts Calculator; 17O chemical shifts; 13C chemical shift; etc..." SPECTROSCOPIC SIMULATOR (JAVA APPLET) - The Chemistry Collective & the Department of Chemistry, Carneigie Mellon University VERY EXTENSIVE. Spectroscopic Simulator
TIME-BANDWIDTH CALCULATOR (FEMTOSECOND LASERS FOR MICROMACHINING AND SPECTROSCOPY) - Clark-MXR, Inc. Time-Bandwidth Calculator
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Spectrometer Calculator is
SPECTROPHOTOMETRY TEACHING MODULES, CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Spectrophotometry Calculators include:
Absorbance Spectrum Calculator; Effect of Cell Path Length Calculator; Effect of Concentration Calculator; Beer's Law Calculator; etc..." BLACK BODY EMISSION CALCULATORS & APPLETS
Black Body Calculator INPUT Values include:
Radiance or Emittance; Peak Wavelength; Efficiency..." BLACK BODY EMISSION CALCULATOR - W. McKinney & M. Martin, Electron Spectroscopy Group, Brookhaven National Laboratory VERY EXTENSIVE. Black Body Emission Calculator
EXTENDED BLACKBODY CALCULATOR - Santa Barbara Focalplane, Lockheed Martin VERY EXTENSIVE. Extended Blackbody Calculator
AUGER ELECTRON SPECTROSCOPY COURSES, LECTURES, DATABASES, CALCULATORS, ETC.
Auger electron spectroscopy (AES)
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..." AUGER PARAMETER ENERGIES - UK Surface Analysis Forum Multimedia Auger Parameters Energies Database (Text & Images). VERY VERY EXTENSIVE. Auger Parameters Energies Database
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
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
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ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY (EIS) - R.S. Rodger, Research Solutions & Resources Multimedia Electrochemical Impedance Spectroscopy (EIS) Teaching Modules & Calculators (Text & Images). VERY VERY EXTENSIVE. For more information see Electrochemistry Resources or Research Solutions & Resources
Inductance of a Straight Wire Calculator INPUT Values include:
Capacitance and Coating Properties Calculator Capacitance and Coating Properties Calculator INPUT Values include:
Coating Information (Dielectric Constant, Thickness, Capacitance)..." Examples of Electrochemical Impedance Spectroscopy (EIS) Teaching Modules include
Physical Electrochemistry and Equivalent Circuit Elements; Extracting Model Parameters from Data; Kramers-Kronig Analysis; etc..." TUTORIAL ON ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY (EIS) - Argentum Solutions, Inc. Multimedia Electrochemical Impedance Spectroscopy (EIS) Teaching Modules (Text & Images). VERY EXTENSIVE. Electrochemical Impedance Spectroscopy (EIS)
Constant Phase Element; Corrosion Rate Estimation; Two Capacitive Relaxation Time Constants; Critical Criteria for Proper Spectra; Diffusion Impedance..." ELECTRON SPECTROSCOPY LECTURES, TEACHING MODULES, CALCULATORS, ETC.
Electron Spectroscopy Techniques
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..." GAMMA RAY SPECTROSCOPY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Gamma Calculator
CALCULATEUR GAMMA - Géophysique de rayonnement, Commission géologique du Canada VERY VERY EXTENSIVE. Calculateur Gamma
GAMMA-RAY SPECTROMETRY CATALOGUE OF ISOTOPE SPECTRAL DATA - Gamma-Ray Spectrometry Center, Idaho National Laboratory (INL) Multimedia Gamma-ray Spectrum Catalogue of Isotope Spectral Data Database (Text & Images). VERY VERY VERY...EXTENSIVE. Gamma-ray Spectrum Catalogue of Isotope Spectral Data Database
GAMMA RAY SPECTROMETRY APPLETS - GammaSpec.org, Department of Physics, University of Liverpool, U.K. For more information see the GammaSpec.org (High Resolution Gamma Spectrometry)
INFRARED SPECTROSCOPY COURSES, LECTURES, CALCULATORS, APPLETS, SIMULATIONS, ETC.
INFRA-RED SPECTROSCOPY CALCULATORS, APPLETS, SIMULATIONS, ETC. IR Spectroscopy Teaching Modules, Lectures, etc. ASSIGNING SPECTRA: IR & ROMAN (FLASH) - M. Anderson, Department of Chemistry, University of Oxford, U.K. Multimedia Spectra Teaching Modules (Text, Images & Animations). VERY EXTENSIVE. Assigning Spectra
Symmetry; Assigning Spectra; etc..." 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) Teaching Modules (Text & Images). Fourier Transform Infrared Spectroscopy (FTIR) Teaching Modules
IR SPECTROSCOPY - Organic Chemistry, Department of Chemistry, University of Colorado, Boulder, Colorado Multimedia IR Spectroscopy Teaching Modules & Theory of Infrared Spectroscopy (Text & Images). VERY VERY EXTENSIVE. Infrared Spectroscopy
INFRA-RED SPECTROSCOPY: IR HELPER - Department of Chemistry, Colby College, Waterville, Maine Infra-Red Spectroscopy
WEBSPECTRA: PROBLEMS IN NMR AND IR SPECTROSCOPY - C.A. Merlic, Department of Chemistry & Biochemistry, Division of Physical Sciences, UCLA Multimedia Problems NMR & IR Spectroscopy Teaching Modules (Text & Images). VERY VERY EXTENSIVE. Problems NMR & IR Spectroscopy
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)
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
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Diatomic Molecule Spectrum Calculator INPUT Values include:
Upper State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); Lower State (Singlet, Doublet, Triplet, Quartet, etc.); (Signa+, Signa-, Pi, Delta, etc.); MASS SPECTROMETRY COURSES, LECTURES, CALCULATORS, APPLETS, ANIMATIONS, ETC.
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
Instrumentation: Ionization Methods & Ion Detectors; Common Mass Analyzer Designs
Time-of-flight MS & Trappped-Ion MS; etc..." 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
Mass Spectral Interpretation; GC/MS Data; etc..." 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 Analyzers I (TOFMS, Quadrupoles, Ion Traps, FTICR, Orbitrap); Ionization Techniques; etc..." Mass Spectrometery Calculators, Tools, Applets FTICR CALCULATOR - Amster Research Group, Department of Chemistry, University of Georgia VERY EXTENSIVE. FTICR Calculators include:
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..." MASS SPECTROMETRY TOOLS - Department of Chemistry, Colby College, Waterville, Maine VERY VERY VERY...EXTENSIVE. For more information see Department of Chemistry
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:
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
Tripeptide Mass Finder Cross-linker Calculator
Mass Spectrometry Calculator & Beynon Table
MASS SPECTROMETRY ADDUCT CALCULATOR - O. Fiehn, UC Davis Genome Center, University of California, Davis VERY EXTENSIVE. Mass Spectrometry Adduct Calculator
MASS SPECTRUM ISOTROPE PATTERN CALCULATOR - A.K. Brisdon, Fluorine Chemistry, School of Chemistry, University of Manchester, U.K. Mass Spectrum Isotope Pattern Calculator calculates
MASSSPECTATOR CALCULATOR: ADVANCED SYNTHETIC POLYMER MASS SPECTRAL DATA ANALYSIS - Center for Theoretical and Computational Materials Science, NIST VERY VERY EXTENSIVE. MassSpectator Calculator
"...The input files must be simple ASCII text files of two columns: one for mass and one for ion intensity..." ISOTOPE DISTRIBUTION CALCULATOR - Developed by J.J. Manura & D.J. Manura,, Scientific Instrument Services Isotope Distribution Calculator calculates
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
Oligonucleotide Mass Calculator
Oligo Composition Calculator Oligo Composition Calculator
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MAGNETIC RESONANCE IMAGING SPECTROSCOPY CALCULATORS & APPLETS NMR & MRI RELATED CENTERS
FOR NMR PERIODICAL TABLES SEE PERIODICAL TABLES: NMR Examples of Advanced NMR Spectroscopy Course include
Data Aqcuisition and Relaxation; 1D Pulse Secuences; Polarization Transfer; Spin-Spin Coupling Analysis; 2D NMR Spectroscopy; NMR of Proteins; etc..." WEBSPECTRA: PROBLEMS IN NMR AND IR SPECTROSCOPY - C.A. Merlic, Department of Chemistry & Biochemistry, Division of Physical Sciences, UCLA Multimedia Problems NMR & IR Spectroscopy Teaching Modules (Text & Images). VERY VERY EXTENSIVE. Problems NMR & IR Spectroscopy
NMR AND MRI RELATED TOOLS - SpectroscopyNow.com, John Wiley & Sons, Ltd. VERY VERY EXTENSIVE. For more information see the SpectroscopyNow.com
Pulse Length/Power Level Calculator INPUT Values include:
Generalized Karplus Calculator Generalized Karplus Calculator INPUT Values include:
NMR Temperature Measurements Calculator NMR Temperature Measurements Calculator INPUT Values include:
1 Chemical Shift Prediction Calculator INPUT Values include:
Alpha Substituents; Beta Substituents; Gamma Substituents..." JD: Spin-Spin Splitting Simulation JD: Spin-Spin Splitting Calculator INPUT Values include:
ORGANIC SPECTROSCOPY LECTURES, TEACHING MDOULES, CALCULATORS, VIDEOS, ETC.
Examples of Organic Spectroscopy Video Lectures include
Mass Spectoscopy Video Lecture; UV/VIS Spectoscopy Video Lecture; Proton NMR Spectoscopy Video Lecture; Carbon-13 NMR Spectoscopy Video Lecture; etc..." RAMAN SPECTROSCOPY LECTURES, TEACHING MDOULES, CALCULATORS, SIMULATIONS, ETC.
Assigning Spectra
Symmetry; Assigning Spectra; etc..." 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
Rotational Raman Spectroscopy Rigid Rotor Model Calculator
RUTHERFORD BACKSCATTERING SPECTROSCOPY LECTURES, TEACHING MODULES, CALCULATORS, ETC.
Rutherford Backscattering Spectrometry Teaching Modules include:
Layer Thickness Measurements; Elemental Concentrations; Straggling; Channeling; Density Effects; etc..." SECONDARY ION MASS SPECTROMETRY CALCULATORS & APPLETS
SECONDARY ION MASS SPECTROMETRY - Evans Analytical Group Multimedia Secondary Ion Mass Spectrometry Teaching Modules (Text & Images). VERY VERY EXTENSIVE. Secondary Ion Mass Spectrometry Teaching Modules include:
Secondary Ion Yields; Relative Sensitivity Factors; RSF Tables; Depth Profiling; Depth Resolution; Bulk Analysis; Mass Spectra; Mass Interferences; Ion Imaging; etc..." |
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)
"...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)..." 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
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
"...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..." 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
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). VERY VERY VERY...EXTENSIVE. Biological Magnetic Resonance Data Bank is a
15N Chemical Shifts; 31P Chemical Shifts; Coupling Constants; Dipolar Couplings; Heteronuclear NOE Values; H-Exchange Rates; etc..." Structure; Time-domain sets; Solid-state NMR..." 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). In English & Japanese. VERY VERY VERY...EXTENSIVE. Spectral Database for Organic Compounds Database
Fourier Transform Infrared Spectrum (FT-IR); 1H nuclear magnetic resonance (NMR) spectrum; 13C NMR Spectrum; Laser Raman Spectrum; Electron Spin Resonance (ESR) Spectrum..."
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
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Spectrum Analysis Amplitude & Frequency Modulation
Statistical Mechanics
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
Temperature and equilibrium; Entropy; Free energies; Quantum statistical mechanics; Order parameters, broken symmetry, and topology; Abrupt phase transitions; etc..." 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
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..." STATISTICAL MECHANICS - G. Refael, Condensed Matter Physics, Department of Physics, The Division of Physics, Mathematics and Astronomy, California Institute of Technology (Caltech) Multimedia Statistical Mechanics Course (Text & Images). VERY VERY VERY...EXTENSIVE. Examples of "Statistical Mechanics" Course Lectures include
Canonical ensemble, Boltzmann factor, partition function, von Neumann entropy; Ergodic principle, fluctuation and heat capacity, free energy and its derivatives; Ideal gases; Chemical potential, grand cannonical ensemble; Ideal gas in the grand-canonical ensemble, thermodynamic potentials; Gibbs-Duhem relation, partial derivatives; Thermodynamics of magnetic systems; Quantum Statistical Mechanics; Quantum gases and Fermions; Bose-Einstein conensation and the dilute Bose gas; First-order (specifically, the liquid-gas) phase transitions; etc..." 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 - PDF (Text & Images). VERY VERY VERY...EXTENSIVE. Example from over "20" Statistical Mechanics Lectures include
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..." |
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
Properties of Water & Steam Calculator INPUT Values include:
Density; Isobaric Heat Capacity; etc..." 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
Thermodynamic Properties of Saturated Steam Calculator INPUT Values include:
Units (SI or English)..."
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:
Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..."
Viscosity; Surface Tension..."
Saturation Properties..."
Auxiliary Data
Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. STEAM TABLES CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
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
Thermodynamic Properties of Saturated Steam Calculator INPUT Values include:
Units (SI or English)..."
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:
Fluorine; Carbon monoxide; Carbon dioxide; Dinitrogen Monoxide; Deuterium oxide; Methanol; Methane; Ethane; Ethene; Propane; Propene; Propyne; Cyclopropane; Butane; etc..."
Viscosity; Surface Tension..."
Saturation Properties..."
Auxiliary Data
Critical Pressure; Critical Density; Acentric Factor; Normal Boiling Point; Dipole Moment..." etc. Stoichiometric Calculations
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)
STOICHIOMETRY SOLVER (JAVA APPLET) - R. Hammer, Department of Chemistry, University of Wisconsin, Madison VERY EXTENSIVSE. Stoichiometry Calculator INPUT Values include:
PYROTECHNIC STOICHIOMETRY CALCULATORS & APPLETS
Pyrotechnic Stoichiometry Calculator INPUT Values include:
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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
Energetics of Surfaces; Particulate Metals; etc..."
Kinetics of Adsorption; Adsorbate Geometries & Structures; etc..."
Variation of Surface Coverage with T & P; etc..."
Auger Electron Spectroscopy; Photoelectron Spectroscopy; Vibrational Spectroscopy; Secondary Ion Mass Spectroscopy; Temperature Programmed Techniques; etc...."
Imaging XPS; SIMS Imaging & Depth Profiling; Auger Depth Profiling; Scanning Probe Microscopy; etc..." 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
Crystal Planes & Surfaces; Relaxation, Reconstruction & Surface Crystallography; Defects at Surfaces; etc...."
Pressure Measurement; etc..."
Chemisorption; Nucleation and Thin Film Growth; etc..."
Tight Binding Model; Semiconductors and Surface States: Band Bending & Electron Counting; etc..."
Structural Analysis; Vibrational Spectroscopies; Electron Spectrometers; etc..."
STM Design and Instrumentation; etc...." SURFACE ANALYSIS & MATERIALS CHARACTERIZATION - Evans Analytical Group Multimedia Surface Analytical Techniques Course, Teaching Modules, Applications, Presentations (Text, Images & Animations). Surface Analytical Techniques provides
Electron Spectroscopy Techniques
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..." 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 Surfaces and Thin Films Chapters & Subchapters include:
SURFACE SCIENCE CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
Surface Structure, Deposition & Adsorption Calculator INPUT Values include:
CRYSTAL SURFACE ANALYSIS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
SURFACE SCIENCE 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
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