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Most of the lecture notes have the same format: formula lines for the proofs but

without the reasons for each step. Room is provided in the right-hand column for you to fill in with the reasons each step was taken. In this way

you can concentrate on the flow of the proofs and the meaning of each formula and not worry about copying down each formula correctly for your notes.

Photoelectric Effect

Some Handy Integrals

Complex Waveforms, eix=cos x+isin x

Complex Waveforms- Euler Identity Proof

Classical Harmonic Oscillator

Particle in a Box

Expectation Values-Particle in a Box

Heisenberg Uncertainty Principle: Gaussian Distribution

Heisenberg Uncertainty Principle: Particle in a Box (short version)

Heisenberg Uncertainty Principle: Particle in a Box

Cryptocyanine

Uncertainty and Wave Packets

Particle in a 2-D Box

Particle in a 3-D Box

Quantum Mechanical Tunneling

Fourier Transforms

Fourier Coefficients

Fourier Integration

Postulates of Quantum Mechanics

The Eigenvalues of Quantum Mechanical Operators are Real

The Momentum Operator is Hermitian

Time Dependent Quantum Mechanics

Classical Vibration and Rotation of Diatomics

Rotation In a Plane

Angular Momentum in 3D

Rigid Rotor - Rotation in Three Dimensions

Spherical Polar Coordinates

Harmonic Oscillator

Harmonic Oscillator Excited States

Hermite Equation and Harmonic Oscillator Excited States

Quantum Mechanics Formula Sheet

Hydrogen Atomic Orbitals

Hydrogen Spherical Atomic Orbital Plots

Hydrogen Atom Most Probable and Average Radius

Many Electron Atoms-Independent Electron Approximation-Helium

Perturbation Method-Helium

Variation Method- Helium

Self-Consistent Field Theory (SCF)

Shielding

Self-Consistent Field Atomic Orbital Energies

Atomic Orbital Ionization Energies

Aufbau Principle

Pauli Exclusion Principle

Total Orbital Angular Momentum, L

Atomic Term Symbols

Spin-Orbit Interaction

Atomic Spectroscopy

The Fine Arts and Science

Slater Type Orbitals, STO's

Gaussian Basis Sets

Carbon 2p Gaussian Orbital

H

Ab initio Molecular Orbital Treatment for H2

Polarization Functions

Electron Correlation - Configuration Interaction

Atomic Orbital Ionization Energies

H

CNDO Calculations for LiH, Bent, and Linear Water

LiH Molecular Orbitals (CNDO)

LiH Molecular Orbitals (MNDO)

MOPAC Instructions for Diatomics

MOPAC Z-matrix Construction

Molecular Orbitals for Diatomics (color) Molecular Orbitals for Diatomics (black and white)

Homonuclear Diatomics Bond Strengths

Homonuclear Diatomics Bond Strength Trends

Heteonuclear Diatomics Bond Strength Trends

Self Consistent Field Hartree Fock: Roothaan Equations

Density Functional Theory

Nitrogen Molecular Orbitals (AM1, exp. bond length)

Molecular Orbitals for Polyatomics

Bent and Linear Water (CNDO)

Walsh Diagram for Dihydrides

Walsh Diagram for Methylene Triplet State

Carbon Dioxide Molecular Orbitals (MNDO)

Ozone Molecular Orbitals: Linear and Bent (MNDO)

Ozone: Linear model MOPAC input file

Linear and Bent Triatomics

Walsh Diagram for Ozone (color) Walsh Diagram for Ozone (black and white)

Ammonia, NH3, 90 and 109 deg bond angles (AM1)

Hybridization

sp Linear hybridization

Huckel Molecular Orbital Theory

How to Calculate Determinants

Kramer's Rule and Butadiene HMO Coefficients

Molecular Structure Formula Sheet

Rotational Spectroscopy - Symmetric Tops

Vibrational Spectroscopy and Anharmonicity

Classical Normal Mode Analysis

Classical Normal Mode Analysis (text version)

Formaldehyde Vibrational Analysis (Spartan)

Formaldehyde Vibrational Analysis (Gaussian03)

Vibration- Rotation Spectroscopy

HCl-DCl Infrared Spectra

Diatomic Spectroscopic Constants

IR and Raman Selection Rules

Electronic Spectrscopy SO

Benzene Electronic Absorption Spectrum -- Gas Phase

I

Acrolein Electronic Absorption

Acrolein & Chloro-acrolein Molecular Orbitals

Term Symbols and Molecular Spectroscopy

Refelction Symmetry (+ -) and Molecular Term Symbols

Birge- Sponer Extrapolation

Absorbance and Fluorescence Spectroscopy

Ultraviolet Photoelectron Spectroscopy: H

Ultraviolet Photoelectron Spectroscopy

Spin-Spin Splitting in NMR

Electron Spin Resonance

Electron Spin Resonance Examples

Distance Geometry

Spectroscopy Formula Sheet

Path Length and Phase Difference

Path Length and Phase Difference Power Point version

Systematic Extinctions

Systematic Extinctions Power Point

Reciprocal Lattice Examples

Constructing the Reciprocal Lattice

Ewald Construction

Averaging and Probability Distributions

Boltzman Distribution and the Most Probable Distribution

Effect of Quantum Size on the Population of States

Canonical Ensemble Partition Functions vs. Molecular Partition Functions

Translational Partition Function and beta

Internal Energy and q

Entropy and the Partition Function (from S = -kΣp

Entropy and the Partition Function (from W

Partition Functions

Electronic Partition Functions

Partition Functions and Units, Units, Units

Thermodynamic Functions from Partition Functions

Thermodynamics and Internal Degrees of Freedom

Vibrational Contribution to Internal Energy and Free Energy vs. T

Formaldehyde Vibrational Analysis with Formulas

Equilibrium Constants and Statistical Mechanics

Equilibrium Constants and Statistical Mechanics Example

Statistical Mechanical Equilibrium Constants- Cl + H2 -> HCl + H

Collision Theory

Thermodynamic Transition State Theory- Eyring Equation

Thermodynamic Transition State Theory- Gibbs Free Energy

Energy Demand and PE Surfaces

Energy Disposal and PE Surfaces

Statistical Mechanics and Reaction Dynamics Formulas

For more information or corrections contact Tom Shattuck at [email protected]

Last modified: 4/24/13