MARTINDALE’S CALCULATORS ONLINE CENTER CHEMISTRY CENTER CHEMISTRY: PQ (Calculators, Applets, Spreadsheets, 
CHEMISTRY: PQ
Pericyclic Chemistry ~
Physical Chemistry ~ Quantum Chemistry – Quantum Mechanics

PERICYCLIC CHEMISTRY COURSES, TEXTBOOKS, LECTURES, ETC.
Cycloadditions Video Lecture; Electrocyclic Reactions Video Lecture; Sigmatropic Rearrangements & ENE Reactions Video Lecture…” For more information see the
Theoretical Explanation; Principal Categories of Organic Pericyclic Reactions; Examples Of Electrocyclic Reactions; Examples Of Sigmatropic Reactions; etc…” For more information see the
Pericyclic Reactions: Aromaticity of Transition States; Pericyclic Reactions: Electrocyclic Reactions; Pericyclic Reactions: Further Examples
Pericyclic Reactions: Chelotropic Reactions; Pericyclic Reactions: Group Transfer Reactions; etc. Pericyclic Reactions: Sigmatropic Rearrangements; etc…” For more information see PETROLEUM HYDROCARBONS CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
access to methods and data that are not commonly available. The latter include data on fuel composition and models for leaching from fuel lenses…” For more information see
PHOTOCHEMISTRY COURSES, TEXTBOOKS, LECTURES, ETC. Supramolecular Photochemistry
Introduction SMP (Organized assemblies); TemplationDimerization; Cage and Conformational effects; Chiral Photochem; Photphysics; etc…” For more information see the PHOTOBIOLOGY SCIENCES COURSES, TEXTBOOKS, LECTURES, ETC.
Photomedicine; Photophysics; Photosynthesis; UV Radiation Photobiology; Bioluminescence; etc…” For more information see 
PHYSICAL CHEMISTRY COURSES, TEXTBOOKS, LECTURES Undergraduate Physical Chemistry Courses, Lectures & Textbooks
Atomic Theory; Chemical Equilbrium; Kinetics; Nuclear Chemistry; Physical Properties of Matter; Spectroscopy; Statistical Mechanics; etc…” For more information see
Postulates of Quantum Mechanics; Classical Harmonic Oscillator; Tunneling; Three Dimensional Systems; Spherical Harmonics; Hydrogen Atom; Variational Principle, Perturbation Theory; HartreeFock, SelfConsistent Field; Electron Spin; Pauli Principle; BornOppenheimer Approximations; Homonuclear Diatomic Molecules; Heteronuclear Diatomic Molecules; Polyatomics, Hybrids; etc…” For more information see
Nuclear Spin Statistics: Symmetry Number, Sigma; Polyatomic Molecules; Chemical Equilibrium; Model Intermolecular Potentials; Virial Equation of State; Thermodynamics of Solids; Free Electron Theory of a Metal; Crystal Phase Equilibria and Critical Phenomena; Kinetic Theory of Gases; Chemical Reaction Rates; Transition State Theory; Rice, Ramsperger, Kassel, and Marcus Unimolecular Reaction Rate Theory; etc…” For more information see Undergraduate Physical Chemistry Laboratory Experiments
Adiabatic Expansion of Gases Video Experiment; JouleThomson Effect Video Experiment; Heats of Solutions Video Experiment; Vibration and rotational spectra of HClDCl Video Experiment; Langmuir Blodget Films Video Experiment; Photodissociation of Ferric Thiocyanate Video Experiment; IR Spectra of SO2 Video Experiment; etc…” For more information see
Graduate Physical Chemistry Courses, Lectures & Textbooks
by mapping it exactly to a much easiertosolve noninteracting problem. Its methodology is applied in a large variety of ﬁelds to many diﬀerent problems, with the groundstate electronic structure problem simply being the most ubiquitous…” Examples from over “24” “The ABC of DFT (Density Functional Theory)” Textbook Chapters include
The Local Density Approximation; Spin; Simple Exact Conditions; Exchangecorrelation Hole; Generalized Gradient Approximations; Orbital Functionals; Timedependent Density Functional Theory; etc…” For more information see the PHYSICAL CHEMISTRY CALCULATORS, APPLETS & SPREADSHEETS (XLS)
A set of interactive demos including blackbody radiation, the photoelectric effect, the emission spectrum of the hydrogen atom Calculator; Titration curves for the titration of monoprotic acids (weak or strong) Calculator; Anharmonicity and the Morse potential Calculator; etc…” For more information see PHYSICAL CHEMISTRY: EQUILIBRIUM CONSTANTS FROM MOLECULAR STRUCTURE CALCULATOR
for a simple bimolecular chemical reaction involving diatomic molecules and atoms…” Equilibrium Constants from Molecular Structure Calculator INPUT Values include:
A, + B, > C & + D…” B_{e} Calculator INPUT Values include
For more information see 
POLYMER & PLASTICS DICTIONARIES & GLOSSARIES
POLYMER CHEMISTRY COURSES, TEXTBOOKS, LECTURES, ETC. Undergraduate Polymer Chemistry Courses, Lectures & Textbooks
Polymer Melt Rheology; Viscometric Flow; PDMS Reaction Data; Static Tensile Behavior of Polymers; Stress Strain Behavior of Polymers; Deformation Morphologies and Toughening of Polymer Systems; Thermal Analysis; Crystallinity: Polymer Morphology; Polymer Physics: The Isolated Polymer Chain; Polymer Physics: Concentrated Solutions and Melts; Electromagnetic Radiation in Analysis; Xray Diffraction Methods in Polymer Science; etc…” For more information see
Introduction to Cracking; Catalytic Cracking of Petroleum; Properties of Alkanes and Alkenes; Poly(ethene) as a Polymer; Free Radical Polymerisation; etc…” Equilibria & Process Control – Reaction Control
Temperature Dependence of Equilibrium Constants; Nylon66 – an industrial example; etc…” Condensation Polymerisation; For more information see
links the structure of materials with their properties, focusing primarily on metals…” Examples of “Physical Metallurgy” Course Lectures include
Twinning; Annealing; recrystallization; polygonization; coarsening; etc.: Precipitate hardening; heat treatment; effect of time…; Contributions to precipitate hardening; phase diagrams; kinetics; etc.; Steel properties; etc…” For more information see Graduate Polymer Chemistry Courses, Lectures & Textbooks
Tertiary Structure Index; Quaternary Structure Index; Amphiphilic; BCP Modeling; etc…” Block Copolymers;
Statistical Dynamic Hierarchies in Polymers; etc…” Polymer Crystalline Structure from a Hierarchical perspective; For more information see POLYMER CHEMISTRY: SYNTHETIC POLYMER MALDI
scientific literature, for matrixassisted laser desorption ionization (MALDI) mass spectrometry on a wide variety of synthetic polymers. These methods have not necessarily been tested by the Characterization and Measurement Group of the Polymers Division of the National Institute of Standards and Technology (NIST), nor does NIST claim…” For more information see the
POLYMER CHEMISTRY CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
varying the parameters…The copolymer equation lets you predict the composition of the polymer as a function of the current ratio of monomers and the relative reactivities for monomers reacting with themselves or with the comonomer…” For more information see

Quantum Chemistry – Quantum Mechanics
Quantum Chemistry – Quantum Mechanics
Undergraduate Quantum Mechanics in Chemistry & Quantum Chemistry Textbooks & Courses
an introduction to molecular spectroscopy (although most classes on this subject will require additional material) and to the subject of molecular dynamics (whose classes again will require additional material)…” Examples of “Quantum Mechanics in Chemistry” Textbook Sections, Chapters & Subchapters include
Chapter 2: Approximation methods can be used when exact solutions to the Schrödinger equation can not be found; Chapter 3: Application of the Schrödinger equation to the motions of electrons and nuclei in a molecule lead to the chemists’ picture of electronic energy surfaces on which vibration and rotation occurs and among which transitions take place;
Subchapter 2: Rotation and Vibration of Diatomic Molecules; Section 2: Simple Molecular Orbital Theory; For more information see
uncertainty principles, Schrödinger equation, and operator and matrix methods. Basic applications of the following are discussed: onedimensional potentials (harmonic oscillator), threedimensional centrosymmetric potentials…” Examples of “Introductory to Quantum Mechanics I” Course Lectures include
The Machinery of Quantum Mechanics; Exactly Solvable Problems; Matrix Mechanics; Time Dependence; Angular Momentum; Central Potentials; etc…” For more information see Graduate Quantum Chemistry Courses, Lectures, etc.
Representation Theory, Dirac Notations, Hilbert Space; Postulates of Quantum Mechanics; Uncertainty Principle and Coherent states; The Time Dependent Schrödinger Equation; etc…” Analytically Solvable Model Problems for Freeparticle
Quantum Confinement: Applications to Quantum Dots, Fermi Gas, ThomasFermi Theory (and functional); etc…” Concepts behind Solutions to Atomic and Molecular Problems
Theory of Angular Momentum: Ladder operators, Spherical Harmonics: Transforming the Angular Momentum problem in Radial Coordinates; etc. Variational Principle; Independent Particles, Hartree Product, Slater Determinants; etc…” For more information see the
TwoLevel System; etc…” Basics of a TimeDependent Hamilitonian
Quantum Dynamics: The TimeEvolution Operator; Schrödinger, Heisenberg and Interaction Pictures; Perturbation Theory; Fermi’s Golden Rule; etc…” Interaction of Light and Matter
CrossSection for Absorption and Stimulated Emission; Spontaneous Emission; Quantized Radiation Field; etc…” Spectroscopoy with Correlation Functions;
Fluctuations in Spectroscopy; Quantum Fluctuations: Energy Gap Hamiltonian; etc…” Linear Response Theory; For more information see Quantum Mechanics Courses – Physics
The Density Operator; Time Evolution in Quantum Mechanics; Harmonic Oscillators and Coherent States; Charged Particles in Magnetic Fields,; Rotations in Quantum Mechanics, and Rotations of Spin 1/2 Systems; Spins in Magnetic Fields; Central Force Motion; Irreducible Tensor Operators and the WignerEckart Theorem; BoundState Perturbation Theory; etc…” For more information see
Waveparticle Duality; Fundamentals of Quantum Mechanics; Onedimensional Potentials; Multiparticle Systems; Threedimensional Quantum Mechanics; Orbital Angular Momentum; Central Potentials; Spin Angular Momentum; Addition of Angular Momentum; Timeindependent Perturbation Theory; Timedependent Perturbation Theory; etc…” For more information see the
Towards the Path Integral Representation of the Kernel; Gaussian Path Integrals and Determinants; Generating Functionals and Perturbative Expansions; etc…” For more information see Graduate Quantum Mechanics Courses
Quantum Dynamics; Angular Momentum; Approximation Methods; Scattering Theory; etc…” For more information see the

atom (actually the hydrogenic atom) in 3D…” Hydrogen Atom Orbital Calculator INPUT Values include:
Complex Combinations; Multiple Bases or Hybrid Bases; Show No Slicing, X Slicing, Y Slicing or Z Slicing; etc…” For more information see
picture showing the amplitude of Psi in the xz plane a certain number of Bohr radii from the nucleus. The reason the Applet graphs the amplitude of Psi instead of the modulus squared (the actual probability of finding the electron an x number of Bohr radii from the nucleus) is due to limitations in the color scale…” For more information see
a single particle in bound states in one dimension. It solves the Schrödinger equation and allows you to visualize the solutions…” For more information see
Schrödinger equation for a variety of standard Hamiltonians and permits users to define their own potential functions and rapidly display the results…” Some prepared examples of the Schrödinger Calculator include the:
H Atom 1s State and H Atom 2p State; Cl 2 Morse Potential; MalflietTjon Deuteron; 30th Excited of 0.5*x**4; The Double Harmonic Oscillator; Square Well; Two Narrow Pulses; “Atom” for Solid Slab and Solid Slab; Infinite Well Super Symmetric Partner…” For more information see 
the integration of six model Hamiltonian systems by a variety of sympletic and nonsympletic methods…” For more information see
as Glauber states, and they are known as single harmonic oscillator prototypes of the coherent states of oscillating electromagnetic field, which are the model of ideal continuous wave laser field, or an electromagnetic field of unmodulated radio wave…” For more information see 
PEANO CURVES CALCULATORS, APPLETS, ANIMATIONS & SIMULATIONS
given size will be filled ever denser by successive generations of this Peano curve. More mathematically: Given an arbitrairy point in the square and an epsilon > 0, no matter how small, there will be an N such that the Nth generation Peano curve passes by the given point at a distance smaller than epsilon…” For more information see
including such wave phenomena as interference, diffraction (single slit, double slit, etc.), refraction, resonance, phased arrays, and the Doppler effect…” For more information see
of the wave functions that describe these particles…” For more information see 
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