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TMP_Chem_Notebook.out
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\BOOKMARK [1][-]{section.1}{Math }{}% 1
\BOOKMARK [2][-]{subsection.1.1}{Introduction}{section.1}% 2
\BOOKMARK [2][-]{subsection.1.2}{Polynomial Properties}{section.1}% 3
\BOOKMARK [2][-]{subsection.1.3}{Polynomial Roots}{section.1}% 4
\BOOKMARK [2][-]{subsection.1.4}{Exponent and Logarithm Properties}{section.1}% 5
\BOOKMARK [2][-]{subsection.1.5}{Complex Numbers}{section.1}% 6
\BOOKMARK [2][-]{subsection.1.6}{Trigonometric Functions}{section.1}% 7
\BOOKMARK [2][-]{subsection.1.7}{Spherical and Polar Coordinates}{section.1}% 8
\BOOKMARK [2][-]{subsection.1.8}{Derivative Definition}{section.1}% 9
\BOOKMARK [2][-]{subsection.1.9}{Basic Derivatives}{section.1}% 10
\BOOKMARK [2][-]{subsection.1.10}{Derivative Rules}{section.1}% 11
\BOOKMARK [2][-]{subsection.1.11}{Repeated Derivatives}{section.1}% 12
\BOOKMARK [2][-]{subsection.1.12}{Function Critical Points}{section.1}% 13
\BOOKMARK [2][-]{subsection.1.13}{Taylor Series}{section.1}% 14
\BOOKMARK [2][-]{subsection.1.14}{Integral Definition}{section.1}% 15
\BOOKMARK [2][-]{subsection.1.15}{Basic Integrals}{section.1}% 16
\BOOKMARK [2][-]{subsection.1.16}{Integral Rules}{section.1}% 17
\BOOKMARK [2][-]{subsection.1.17}{Partial Derivatives}{section.1}% 18
\BOOKMARK [2][-]{subsection.1.18}{Repeated Partial Derivatives}{section.1}% 19
\BOOKMARK [2][-]{subsection.1.19}{Multi-Dimensional Integrals}{section.1}% 20
\BOOKMARK [2][-]{subsection.1.20}{Volume Elements}{section.1}% 21
\BOOKMARK [2][-]{subsection.1.21}{Euler's Formula}{section.1}% 22
\BOOKMARK [2][-]{subsection.1.22}{Vectors}{section.1}% 23
\BOOKMARK [2][-]{subsection.1.23}{Matrices}{section.1}% 24
\BOOKMARK [2][-]{subsection.1.24}{Determinants}{section.1}% 25
\BOOKMARK [2][-]{subsection.1.25}{Matrix Properties}{section.1}% 26
\BOOKMARK [2][-]{subsection.1.26}{Matrix Eigenvalues and Eigenvectors}{section.1}% 27
\BOOKMARK [2][-]{subsection.1.27}{Discrete Dirac Notation}{section.1}% 28
\BOOKMARK [2][-]{subsection.1.28}{Matrix Operators}{section.1}% 29
\BOOKMARK [2][-]{subsection.1.29}{Unitary Transformation}{section.1}% 30
\BOOKMARK [2][-]{subsection.1.30}{Hermitian Matrices}{section.1}% 31
\BOOKMARK [2][-]{subsection.1.31}{Matrix Diagonalization}{section.1}% 32
\BOOKMARK [2][-]{subsection.1.32}{Matrix Commutators}{section.1}% 33
\BOOKMARK [2][-]{subsection.1.33}{Matrix Functions}{section.1}% 34
\BOOKMARK [1][-]{section.2}{Quantum Chemistry }{}% 35
\BOOKMARK [2][-]{subsection.2.1}{Introduction}{section.2}% 36
\BOOKMARK [2][-]{subsection.2.2}{Blackbody Radiation}{section.2}% 37
\BOOKMARK [2][-]{subsection.2.3}{Photoelectric Effect}{section.2}% 38
\BOOKMARK [2][-]{subsection.2.4}{Rydberg Formula}{section.2}% 39
\BOOKMARK [2][-]{subsection.2.5}{Bohr Hydrogen Model 1: Radius}{section.2}% 40
\BOOKMARK [2][-]{subsection.2.6}{Bohr Hydrogen Model 2: Energy}{section.2}% 41
\BOOKMARK [2][-]{subsection.2.7}{Wave-Particle Duality}{section.2}% 42
\BOOKMARK [2][-]{subsection.2.8}{Uncertainty Principle in Measurement}{section.2}% 43
\BOOKMARK [2][-]{subsection.2.9}{Classical Wave Equation}{section.2}% 44
\BOOKMARK [2][-]{subsection.2.10}{Vibrating String}{section.2}% 45
\BOOKMARK [2][-]{subsection.2.11}{Vibrating String Animation}{section.2}% 46
\BOOKMARK [2][-]{subsection.2.12}{Schrodinger Equation "Derivation"}{section.2}% 47
\BOOKMARK [2][-]{subsection.2.13}{Operators}{section.2}% 48
\BOOKMARK [2][-]{subsection.2.14}{Eigenvalues and Eigenfunctions}{section.2}% 49
\BOOKMARK [2][-]{subsection.2.15}{Interpreting the Wavefunction}{section.2}% 50
\BOOKMARK [2][-]{subsection.2.16}{Particle in a Box}{section.2}% 51
\BOOKMARK [2][-]{subsection.2.17}{Normalization}{section.2}% 52
\BOOKMARK [2][-]{subsection.2.18}{Particle in a Box Wavefunction Plots}{section.2}% 53
\BOOKMARK [2][-]{subsection.2.19}{UV-Vis Spectra of Polyenes}{section.2}% 54
\BOOKMARK [2][-]{subsection.2.20}{Average Position}{section.2}% 55
\BOOKMARK [2][-]{subsection.2.21}{Average Momentum}{section.2}% 56
\BOOKMARK [2][-]{subsection.2.22}{3-D Particle in a Box}{section.2}% 57
\BOOKMARK [2][-]{subsection.2.23}{Degeneracy}{section.2}% 58
\BOOKMARK [2][-]{subsection.2.24}{Postulates of Quantum Mechanics 1: Wavefunction}{section.2}% 59
\BOOKMARK [2][-]{subsection.2.25}{Postulates of Quantum Mechanics 2: Operators}{section.2}% 60
\BOOKMARK [2][-]{subsection.2.26}{Postulates of Quantum Mechanics 3: Measurement}{section.2}% 61
\BOOKMARK [2][-]{subsection.2.27}{Postulates of Quantum Mechanics 4: Expectation Values}{section.2}% 62
\BOOKMARK [2][-]{subsection.2.28}{Postulates of Quantum Mechanics 5: Schrodinger Equation}{section.2}% 63
\BOOKMARK [2][-]{subsection.2.29}{Commutators}{section.2}% 64
\BOOKMARK [2][-]{subsection.2.30}{Hermitian Operators}{section.2}% 65
\BOOKMARK [2][-]{subsection.2.31}{Dirac Notation}{section.2}% 66
\BOOKMARK [2][-]{subsection.2.32}{Orthogonality}{section.2}% 67
\BOOKMARK [2][-]{subsection.2.33}{Superposition Principle 1: Basis Sets}{section.2}% 68
\BOOKMARK [2][-]{subsection.2.34}{Superposition Principle 2: Expectation Values}{section.2}% 69
\BOOKMARK [2][-]{subsection.2.35}{Superposition Principle 3: Example}{section.2}% 70
\BOOKMARK [2][-]{subsection.2.36}{Commuting Operators}{section.2}% 71
\BOOKMARK [2][-]{subsection.2.37}{Time Dependence}{section.2}% 72
\BOOKMARK [2][-]{subsection.2.38}{Time Dependence Animation}{section.2}% 73
\BOOKMARK [2][-]{subsection.2.39}{Wavefunction Collapse}{section.2}% 74
\BOOKMARK [2][-]{subsection.2.40}{Schrodinger's Cat}{section.2}% 75
\BOOKMARK [2][-]{subsection.2.41}{Correspondence Principle}{section.2}% 76
\BOOKMARK [2][-]{subsection.2.42}{Harmonic Oscillator Model}{section.2}% 77
\BOOKMARK [2][-]{subsection.2.43}{Classical Harmonic Oscillator 1: Trajectory}{section.2}% 78
\BOOKMARK [2][-]{subsection.2.44}{Classical Harmonic Oscillator 2: Energy}{section.2}% 79
\BOOKMARK [2][-]{subsection.2.45}{Reduced Mass}{section.2}% 80
\BOOKMARK [2][-]{subsection.2.46}{Harmonic Oscillator Energy Levels}{section.2}% 81
\BOOKMARK [2][-]{subsection.2.47}{Diatomic Infrared Spectra}{section.2}% 82
\BOOKMARK [2][-]{subsection.2.48}{Anharmonicity and Overtones}{section.2}% 83
\BOOKMARK [2][-]{subsection.2.49}{Harmonic Oscillator Wavefunctions}{section.2}% 84
\BOOKMARK [2][-]{subsection.2.50}{Even and Odd Functions}{section.2}% 85
\BOOKMARK [2][-]{subsection.2.51}{Harmonic Oscillator Even and Odd Functions}{section.2}% 86
\BOOKMARK [2][-]{subsection.2.52}{3-D Harmonic Oscillator}{section.2}% 87
\BOOKMARK [2][-]{subsection.2.53}{Polyatomic Molecular Vibrations}{section.2}% 88
\BOOKMARK [2][-]{subsection.2.54}{Rigid Rotor Model}{section.2}% 89
\BOOKMARK [2][-]{subsection.2.55}{Rotation Operators}{section.2}% 90
\BOOKMARK [2][-]{subsection.2.56}{Rigid Rotor Energy Levels}{section.2}% 91
\BOOKMARK [2][-]{subsection.2.57}{Diatomic Microwave Spectra}{section.2}% 92
\BOOKMARK [2][-]{subsection.2.58}{Rovibrational Energy Levels}{section.2}% 93
\BOOKMARK [2][-]{subsection.2.59}{Diatomic Rovibrational Spectra}{section.2}% 94
\BOOKMARK [2][-]{subsection.2.60}{Microwave Spectroscopy Example}{section.2}% 95
\BOOKMARK [2][-]{subsection.2.61}{Rotation-Vibration Interaction}{section.2}% 96
\BOOKMARK [2][-]{subsection.2.62}{Centrifugal Distortion}{section.2}% 97
\BOOKMARK [2][-]{subsection.2.63}{Rigid Rotor Wavefunctions}{section.2}% 98
\BOOKMARK [2][-]{subsection.2.64}{Orthonormality of Spherical Harmonics}{section.2}% 99
\BOOKMARK [2][-]{subsection.2.65}{Angular Momentum Eigenvalues}{section.2}% 100
\BOOKMARK [2][-]{subsection.2.66}{Hydrogen Atom Model}{section.2}% 101
\BOOKMARK [2][-]{subsection.2.67}{Hydrogen Atom Energy Levels}{section.2}% 102
\BOOKMARK [2][-]{subsection.2.68}{Hydrogen Atom Radial Wavefunctions}{section.2}% 103
\BOOKMARK [2][-]{subsection.2.69}{Hydrogen Atom Total Wavefunctions}{section.2}% 104
\BOOKMARK [2][-]{subsection.2.70}{Hydrogen Atomic Orbital Nodes}{section.2}% 105
\BOOKMARK [2][-]{subsection.2.71}{Hydrogen Atom Eigenvalues}{section.2}% 106
\BOOKMARK [2][-]{subsection.2.72}{Hydrogen Atom Radius}{section.2}% 107
\BOOKMARK [2][-]{subsection.2.73}{Hydrogen Atom Radial Wavefunction Animation}{section.2}% 108
\BOOKMARK [2][-]{subsection.2.74}{Virial Theorem}{section.2}% 109
\BOOKMARK [2][-]{subsection.2.75}{Zeeman Effect}{section.2}% 110
\BOOKMARK [2][-]{subsection.2.76}{Electron Spin}{section.2}% 111
\BOOKMARK [2][-]{subsection.2.77}{Spin-Orbit Coupling}{section.2}% 112
\BOOKMARK [2][-]{subsection.2.78}{Hydrogen Atom Term Symbols}{section.2}% 113
\BOOKMARK [2][-]{subsection.2.79}{Hydrogen Atom Spectrum}{section.2}% 114
\BOOKMARK [2][-]{subsection.2.80}{Helium Atom Hamiltonian}{section.2}% 115
\BOOKMARK [2][-]{subsection.2.81}{Variational Principle}{section.2}% 116
\BOOKMARK [2][-]{subsection.2.82}{Variational Principle Example}{section.2}% 117
\BOOKMARK [2][-]{subsection.2.83}{Linear Variational Method}{section.2}% 118
\BOOKMARK [2][-]{subsection.2.84}{Secular Determinant}{section.2}% 119
\BOOKMARK [2][-]{subsection.2.85}{Linear Variational Example}{section.2}% 120
\BOOKMARK [2][-]{subsection.2.86}{Perturbation Theory}{section.2}% 121
\BOOKMARK [2][-]{subsection.2.87}{Perturbation Theory Derivation}{section.2}% 122
\BOOKMARK [2][-]{subsection.2.88}{Perturbation Theory Example}{section.2}% 123
\BOOKMARK [2][-]{subsection.2.89}{Atomic Units}{section.2}% 124
\BOOKMARK [2][-]{subsection.2.90}{Helium Atom Energy Approximations}{section.2}% 125
\BOOKMARK [2][-]{subsection.2.91}{Hartree-Fock Helium Atom}{section.2}% 126
\BOOKMARK [2][-]{subsection.2.92}{Hartree-Fock Helium Energy}{section.2}% 127
\BOOKMARK [2][-]{subsection.2.93}{Antisymmetry Principle}{section.2}% 128
\BOOKMARK [2][-]{subsection.2.94}{Slater Determinants}{section.2}% 129
\BOOKMARK [2][-]{subsection.2.95}{Hartree-Fock Atomic Energy}{section.2}% 130
\BOOKMARK [2][-]{subsection.2.96}{Hartree-Fock Operators}{section.2}% 131
\BOOKMARK [2][-]{subsection.2.97}{Hartree-Fock-Roothaan Equations}{section.2}% 132
\BOOKMARK [2][-]{subsection.2.98}{Hartree-Fock Spin}{section.2}% 133
\BOOKMARK [2][-]{subsection.2.99}{Post Hartree-Fock Methods}{section.2}% 134
\BOOKMARK [2][-]{subsection.2.100}{Atomic Electron Configurations}{section.2}% 135
\BOOKMARK [2][-]{subsection.2.101}{Electron Configuration Exceptions}{section.2}% 136
\BOOKMARK [2][-]{subsection.2.102}{Atomic Term Symbols}{section.2}% 137
\BOOKMARK [2][-]{subsection.2.103}{Term Symbols Example 1}{section.2}% 138
\BOOKMARK [2][-]{subsection.2.104}{Term Symbols Example 2}{section.2}% 139
\BOOKMARK [2][-]{subsection.2.105}{Term Symbols Example 3}{section.2}% 140
\BOOKMARK [2][-]{subsection.2.106}{Hund's Rules}{section.2}% 141
\BOOKMARK [2][-]{subsection.2.107}{Atomic Spectra}{section.2}% 142
\BOOKMARK [2][-]{subsection.2.108}{Hydrogen Molecule Hamiltonian}{section.2}% 143
\BOOKMARK [2][-]{subsection.2.109}{Born-Oppenheimer Approximation}{section.2}% 144
\BOOKMARK [2][-]{subsection.2.110}{Hydrogen Molecule-Ion 1: Energy}{section.2}% 145
\BOOKMARK [2][-]{subsection.2.111}{Hydrogen Molecule-Ion 2: Orbitals}{section.2}% 146
\BOOKMARK [2][-]{subsection.2.112}{Molecular Orbital Angular Momentum}{section.2}% 147
\BOOKMARK [2][-]{subsection.2.113}{Molecular Orbital Inversion Symmetry}{section.2}% 148
\BOOKMARK [2][-]{subsection.2.114}{Hydrogen Molecular Orbital Diagram}{section.2}% 149
\BOOKMARK [2][-]{subsection.2.115}{LCAO-MO Theory}{section.2}% 150
\BOOKMARK [2][-]{subsection.2.116}{Diatomic Molecular Orbital Diagrams}{section.2}% 151
\BOOKMARK [2][-]{subsection.2.117}{Bond Order}{section.2}% 152
\BOOKMARK [2][-]{subsection.2.118}{Diatomic Term Symbols}{section.2}% 153
\BOOKMARK [2][-]{subsection.2.119}{Total Wavefunction Symmetry}{section.2}% 154
\BOOKMARK [2][-]{subsection.2.120}{sp Hybridization}{section.2}% 155
\BOOKMARK [2][-]{subsection.2.121}{sp2 Hybridization}{section.2}% 156
\BOOKMARK [2][-]{subsection.2.122}{sp3 Hybridization}{section.2}% 157
\BOOKMARK [2][-]{subsection.2.123}{Lone Pair Hybridization}{section.2}% 158
\BOOKMARK [2][-]{subsection.2.124}{Walsh Diagrams}{section.2}% 159
\BOOKMARK [2][-]{subsection.2.125}{Huckel Theory}{section.2}% 160
\BOOKMARK [2][-]{subsection.2.126}{Pi Resonance}{section.2}% 161
\BOOKMARK [2][-]{subsection.2.127}{Aromaticity}{section.2}% 162
\BOOKMARK [2][-]{subsection.2.128}{Symmetry Websites}{section.2}% 163
\BOOKMARK [2][-]{subsection.2.129}{Symmetry Operations}{section.2}% 164
\BOOKMARK [2][-]{subsection.2.130}{Symmetry Elements}{section.2}% 165
\BOOKMARK [2][-]{subsection.2.131}{Groups}{section.2}% 166
\BOOKMARK [2][-]{subsection.2.132}{Point Groups}{section.2}% 167
\BOOKMARK [2][-]{subsection.2.133}{Point Group Examples}{section.2}% 168
\BOOKMARK [2][-]{subsection.2.134}{Determining Point Groups}{section.2}% 169
\BOOKMARK [2][-]{subsection.2.135}{Group Multiplication Tables}{section.2}% 170
\BOOKMARK [2][-]{subsection.2.136}{Symmetry Operator Matrices}{section.2}% 171
\BOOKMARK [2][-]{subsection.2.137}{Irreducible Representations}{section.2}% 172
\BOOKMARK [2][-]{subsection.2.138}{Character Tables 1: Abelian}{section.2}% 173
\BOOKMARK [2][-]{subsection.2.139}{Character Tables 2: Non-Abelian}{section.2}% 174
\BOOKMARK [2][-]{subsection.2.140}{Determining Irreps}{section.2}% 175
\BOOKMARK [2][-]{subsection.2.141}{Generating Operators}{section.2}% 176
\BOOKMARK [2][-]{subsection.2.142}{Irrep Direct Products}{section.2}% 177
\BOOKMARK [2][-]{subsection.2.143}{Symmetry IR / Raman Activity}{section.2}% 178
\BOOKMARK [2][-]{subsection.2.144}{Nuclear Spin}{section.2}% 179
\BOOKMARK [2][-]{subsection.2.145}{Nuclear Magnetic Dipole}{section.2}% 180
\BOOKMARK [2][-]{subsection.2.146}{Nuclear Magnetic Resonance}{section.2}% 181
\BOOKMARK [2][-]{subsection.2.147}{NMR Spectrometer}{section.2}% 182
\BOOKMARK [2][-]{subsection.2.148}{Magnetic Shielding}{section.2}% 183
\BOOKMARK [2][-]{subsection.2.149}{Chemical Shift}{section.2}% 184
\BOOKMARK [2][-]{subsection.2.150}{Spin-Spin Coupling}{section.2}% 185
\BOOKMARK [2][-]{subsection.2.151}{First Order Spectra}{section.2}% 186
\BOOKMARK [2][-]{subsection.2.152}{Chemical Equivalence}{section.2}% 187
\BOOKMARK [2][-]{subsection.2.153}{N+1 Rule}{section.2}% 188
\BOOKMARK [2][-]{subsection.2.154}{Second Order Spectra}{section.2}% 189
\BOOKMARK [2][-]{subsection.2.155}{Particle in a Ring Model}{section.2}% 190
\BOOKMARK [2][-]{subsection.2.156}{Particle in a Ring Energies}{section.2}% 191
\BOOKMARK [2][-]{subsection.2.157}{Particle in a Ring Wavefunctions}{section.2}% 192
\BOOKMARK [2][-]{subsection.2.158}{Huckel's Rule}{section.2}% 193
\BOOKMARK [2][-]{subsection.2.159}{Aromatic UV-Vis Spectra}{section.2}% 194
\BOOKMARK [2][-]{subsection.2.160}{Particle in a Ring Eigenvalues}{section.2}% 195
\BOOKMARK [1][-]{section.3}{Chemical Thermodynamics }{}% 196
\BOOKMARK [2][-]{subsection.3.1}{Introduction}{section.3}% 197
\BOOKMARK [2][-]{subsection.3.2}{Ideal Gas Equation}{section.3}% 198
\BOOKMARK [2][-]{subsection.3.3}{van der Waals Gas Equation}{section.3}% 199
\BOOKMARK [2][-]{subsection.3.4}{Virial Equation of State}{section.3}% 200
\BOOKMARK [2][-]{subsection.3.5}{Gas Equation Example}{section.3}% 201
\BOOKMARK [2][-]{subsection.3.6}{Gas Interaction Functions}{section.3}% 202
\BOOKMARK [2][-]{subsection.3.7}{Critical Point}{section.3}% 203
\BOOKMARK [2][-]{subsection.3.8}{Reduced Properties}{section.3}% 204
\BOOKMARK [2][-]{subsection.3.9}{Energy Quantization}{section.3}% 205
\BOOKMARK [2][-]{subsection.3.10}{Boltzmann Factor}{section.3}% 206
\BOOKMARK [2][-]{subsection.3.11}{Partition Function}{section.3}% 207
\BOOKMARK [2][-]{subsection.3.12}{Ensemble Energy}{section.3}% 208
\BOOKMARK [2][-]{subsection.3.13}{Ensemble Energy Example}{section.3}% 209
\BOOKMARK [2][-]{subsection.3.14}{Molecular Energy Levels}{section.3}% 210
\BOOKMARK [2][-]{subsection.3.15}{Translational Partition Function}{section.3}% 211
\BOOKMARK [2][-]{subsection.3.16}{Rotational Partition Function}{section.3}% 212
\BOOKMARK [2][-]{subsection.3.17}{Vibrational Partition Function}{section.3}% 213
\BOOKMARK [2][-]{subsection.3.18}{Electronic Partition Function}{section.3}% 214
\BOOKMARK [2][-]{subsection.3.19}{Molecular Partition Function}{section.3}% 215
\BOOKMARK [2][-]{subsection.3.20}{System Partition Function}{section.3}% 216
\BOOKMARK [2][-]{subsection.3.21}{Statistical Molecular Energy}{section.3}% 217
\BOOKMARK [2][-]{subsection.3.22}{Molecular Energy Example}{section.3}% 218
\BOOKMARK [2][-]{subsection.3.23}{First Law}{section.3}% 219
\BOOKMARK [2][-]{subsection.3.24}{Pressure-Volume Work}{section.3}% 220
\BOOKMARK [2][-]{subsection.3.25}{State and Path Functions}{section.3}% 221
\BOOKMARK [2][-]{subsection.3.26}{Reversible Processes}{section.3}% 222
\BOOKMARK [2][-]{subsection.3.27}{Isothermal Processes}{section.3}% 223
\BOOKMARK [2][-]{subsection.3.28}{Adiabatic Processes}{section.3}% 224
\BOOKMARK [2][-]{subsection.3.29}{Adiabatic / Isothermal Comparison}{section.3}% 225
\BOOKMARK [2][-]{subsection.3.30}{Statistical Heat and Work}{section.3}% 226
\BOOKMARK [2][-]{subsection.3.31}{Statistical Pressure}{section.3}% 227
\BOOKMARK [2][-]{subsection.3.32}{Enthalpy}{section.3}% 228
\BOOKMARK [2][-]{subsection.3.33}{Enthalpy Example}{section.3}% 229
\BOOKMARK [2][-]{subsection.3.34}{Heat Capacity}{section.3}% 230
\BOOKMARK [2][-]{subsection.3.35}{Transition Enthalpy}{section.3}% 231
\BOOKMARK [2][-]{subsection.3.36}{Reaction Enthalpy}{section.3}% 232
\BOOKMARK [2][-]{subsection.3.37}{Hess's Law}{section.3}% 233
\BOOKMARK [2][-]{subsection.3.38}{Formation Enthalpy}{section.3}% 234
\BOOKMARK [2][-]{subsection.3.39}{Standard Reaction Enthalpy}{section.3}% 235
\BOOKMARK [2][-]{subsection.3.40}{Enthalpy Temperature Dependence}{section.3}% 236
\BOOKMARK [2][-]{subsection.3.41}{Spontaneous Processes}{section.3}% 237
\BOOKMARK [2][-]{subsection.3.42}{Entropy}{section.3}% 238
\BOOKMARK [2][-]{subsection.3.43}{Expansion Entropy}{section.3}% 239
\BOOKMARK [2][-]{subsection.3.44}{Second Law}{section.3}% 240
\BOOKMARK [2][-]{subsection.3.45}{Heat Flow Direction}{section.3}% 241
\BOOKMARK [2][-]{subsection.3.46}{Degenerate Entropy}{section.3}% 242
\BOOKMARK [2][-]{subsection.3.47}{Gibbs Entropy}{section.3}% 243
\BOOKMARK [2][-]{subsection.3.48}{Statistical Entropy}{section.3}% 244
\BOOKMARK [2][-]{subsection.3.49}{Reversible Entropy}{section.3}% 245
\BOOKMARK [2][-]{subsection.3.50}{Heat Engines}{section.3}% 246
\BOOKMARK [2][-]{subsection.3.51}{Entropy Temp Dependence 1}{section.3}% 247
\BOOKMARK [2][-]{subsection.3.52}{Entropy Temp Dependence 2}{section.3}% 248
\BOOKMARK [2][-]{subsection.3.53}{Third Law}{section.3}% 249
\BOOKMARK [2][-]{subsection.3.54}{Transition Entropy}{section.3}% 250
\BOOKMARK [2][-]{subsection.3.55}{Debye T3 Law}{section.3}% 251
\BOOKMARK [2][-]{subsection.3.56}{Calorimetric Entropy}{section.3}% 252
\BOOKMARK [2][-]{subsection.3.57}{Statistical Entropy Example}{section.3}% 253
\BOOKMARK [2][-]{subsection.3.58}{Residual Entropy}{section.3}% 254
\BOOKMARK [2][-]{subsection.3.59}{Reaction Entropy}{section.3}% 255
\BOOKMARK [2][-]{subsection.3.60}{Helmholtz Energy}{section.3}% 256
\BOOKMARK [2][-]{subsection.3.61}{Gibbs Energy}{section.3}% 257
\BOOKMARK [2][-]{subsection.3.62}{Natural Variables}{section.3}% 258
\BOOKMARK [2][-]{subsection.3.63}{Maxwell Relations 1: Concept}{section.3}% 259
\BOOKMARK [2][-]{subsection.3.64}{Maxwell Relations 2: Summary}{section.3}% 260
\BOOKMARK [2][-]{subsection.3.65}{Maxwell Relations 3: Example}{section.3}% 261
\BOOKMARK [2][-]{subsection.3.66}{Standard Entropy Correction}{section.3}% 262
\BOOKMARK [2][-]{subsection.3.67}{Gibbs-Helmholtz Equation}{section.3}% 263
\BOOKMARK [2][-]{subsection.3.68}{Fugacity}{section.3}% 264
\BOOKMARK [2][-]{subsection.3.69}{Fugacity Coefficient}{section.3}% 265
\BOOKMARK [2][-]{subsection.3.70}{Phase Diagrams}{section.3}% 266
\BOOKMARK [2][-]{subsection.3.71}{Gibbs Energy of Phases}{section.3}% 267
\BOOKMARK [2][-]{subsection.3.72}{Chemical Potential}{section.3}% 268
\BOOKMARK [2][-]{subsection.3.73}{Clapeyron Equation}{section.3}% 269
\BOOKMARK [2][-]{subsection.3.74}{Clausius-Clapeyron Equation}{section.3}% 270
\BOOKMARK [2][-]{subsection.3.75}{Statistical Chemical Potential}{section.3}% 271
\BOOKMARK [2][-]{subsection.3.76}{Partial Molar Quantities}{section.3}% 272
\BOOKMARK [2][-]{subsection.3.77}{Gibbs-Duhem Equation}{section.3}% 273
\BOOKMARK [2][-]{subsection.3.78}{Solution Chemical Potential}{section.3}% 274
\BOOKMARK [2][-]{subsection.3.79}{Raoult's Law}{section.3}% 275
\BOOKMARK [2][-]{subsection.3.80}{Pressure-Composition Diagrams}{section.3}% 276
\BOOKMARK [2][-]{subsection.3.81}{Temperature-Composition Diagrams}{section.3}% 277
\BOOKMARK [2][-]{subsection.3.82}{Mixing Energy}{section.3}% 278
\BOOKMARK [2][-]{subsection.3.83}{Henry's Law}{section.3}% 279
\BOOKMARK [2][-]{subsection.3.84}{Activity}{section.3}% 280
\BOOKMARK [2][-]{subsection.3.85}{Standard Activity}{section.3}% 281
\BOOKMARK [2][-]{subsection.3.86}{Molarity and Molality}{section.3}% 282
\BOOKMARK [2][-]{subsection.3.87}{Non-Volatile Activity}{section.3}% 283
\BOOKMARK [2][-]{subsection.3.88}{Colligative Properties}{section.3}% 284
\BOOKMARK [2][-]{subsection.3.89}{Freezing Point Depression}{section.3}% 285
\BOOKMARK [2][-]{subsection.3.90}{Osmotic Pressure}{section.3}% 286
\BOOKMARK [2][-]{subsection.3.91}{Electrolyte Activity}{section.3}% 287
\BOOKMARK [2][-]{subsection.3.92}{Debye-Huckel Law}{section.3}% 288
\BOOKMARK [2][-]{subsection.3.93}{Extent of Reaction}{section.3}% 289
\BOOKMARK [2][-]{subsection.3.94}{Equilibrium Constant}{section.3}% 290
\BOOKMARK [2][-]{subsection.3.95}{Le Chatalier's Principle}{section.3}% 291
\BOOKMARK [2][-]{subsection.3.96}{Concentration Equilibrium Constant}{section.3}% 292
\BOOKMARK [2][-]{subsection.3.97}{Gibbs Energy of Reaction}{section.3}% 293
\BOOKMARK [2][-]{subsection.3.98}{Equilibrium Example}{section.3}% 294
\BOOKMARK [2][-]{subsection.3.99}{Reaction Direction}{section.3}% 295
\BOOKMARK [2][-]{subsection.3.100}{Reaction Spontaneity}{section.3}% 296
\BOOKMARK [2][-]{subsection.3.101}{Van't Hoff Equation}{section.3}% 297
\BOOKMARK [2][-]{subsection.3.102}{Fugacity Equilibrium Constant}{section.3}% 298
\BOOKMARK [2][-]{subsection.3.103}{Activity Equilibrium Constant}{section.3}% 299
\BOOKMARK [2][-]{subsection.3.104}{Condensed Phase Activity}{section.3}% 300
\BOOKMARK [2][-]{subsection.3.105}{Electrochemical Cells}{section.3}% 301
\BOOKMARK [2][-]{subsection.3.106}{Half Cell Reactions}{section.3}% 302
\BOOKMARK [2][-]{subsection.3.107}{Cell Diagrams}{section.3}% 303
\BOOKMARK [2][-]{subsection.3.108}{Electromotive Force \(EMF\)}{section.3}% 304
\BOOKMARK [2][-]{subsection.3.109}{Nernst Equation}{section.3}% 305
\BOOKMARK [2][-]{subsection.3.110}{Standard Reduction Potential}{section.3}% 306
\BOOKMARK [2][-]{subsection.3.111}{Electrochemistry Example}{section.3}% 307
\BOOKMARK [2][-]{subsection.3.112}{Electrochemical Enthalpy and Entropy}{section.3}% 308
\BOOKMARK [2][-]{subsection.3.113}{Ionic Gibbs Energy}{section.3}% 309
\BOOKMARK [2][-]{subsection.3.114}{Solubility Product}{section.3}% 310
\BOOKMARK [2][-]{subsection.3.115}{Batteries}{section.3}% 311
\BOOKMARK [1][-]{section.4}{Chemical Kinetics }{}% 312
\BOOKMARK [2][-]{subsection.4.1}{Introduction}{section.4}% 313
\BOOKMARK [2][-]{subsection.4.2}{Average Kinetic Energy}{section.4}% 314
\BOOKMARK [2][-]{subsection.4.3}{Average Velocity}{section.4}% 315
\BOOKMARK [2][-]{subsection.4.4}{Maxwell-Boltzmann Distribution}{section.4}% 316
\BOOKMARK [2][-]{subsection.4.5}{Mean Free Path}{section.4}% 317
\BOOKMARK [2][-]{subsection.4.6}{Total Collision Rate}{section.4}% 318
\BOOKMARK [2][-]{subsection.4.7}{Reaction Rates}{section.4}% 319
\BOOKMARK [2][-]{subsection.4.8}{Rate Laws}{section.4}% 320
\BOOKMARK [2][-]{subsection.4.9}{First Order Reactions}{section.4}% 321
\BOOKMARK [2][-]{subsection.4.10}{Second Order Reactions}{section.4}% 322
\BOOKMARK [2][-]{subsection.4.11}{Half Life}{section.4}% 323
\BOOKMARK [2][-]{subsection.4.12}{Finding Rate Laws}{section.4}% 324
\BOOKMARK [2][-]{subsection.4.13}{Reversible Reactions}{section.4}% 325
\BOOKMARK [2][-]{subsection.4.14}{Activation Energy}{section.4}% 326
\BOOKMARK [2][-]{subsection.4.15}{Reaction Coordinates}{section.4}% 327
\BOOKMARK [2][-]{subsection.4.16}{Reaction Mechanisms}{section.4}% 328
\BOOKMARK [2][-]{subsection.4.17}{Detailed Balance}{section.4}% 329
\BOOKMARK [2][-]{subsection.4.18}{Rate-Determining Step}{section.4}% 330
\BOOKMARK [2][-]{subsection.4.19}{Steady-State Approximation}{section.4}% 331
\BOOKMARK [2][-]{subsection.4.20}{Unimolecular Reactions}{section.4}% 332
\BOOKMARK [2][-]{subsection.4.21}{Catalysis}{section.4}% 333
\BOOKMARK [2][-]{subsection.4.22}{Michaelis-Menton Mechanism}{section.4}% 334
\BOOKMARK [1][-]{section.5}{Computational Chemistry }{}% 335
\BOOKMARK [2][-]{subsection.5.1}{Introduction}{section.5}% 336
\BOOKMARK [2][-]{subsection.5.2}{XYZ File Format}{section.5}% 337
\BOOKMARK [2][-]{subsection.5.3}{PDB File Format}{section.5}% 338
\BOOKMARK [2][-]{subsection.5.4}{Avogadro and VMD}{section.5}% 339
\BOOKMARK [2][-]{subsection.5.5}{Drawing Molecules}{section.5}% 340
\BOOKMARK [2][-]{subsection.5.6}{Python and Jupyter}{section.5}% 341
\BOOKMARK [2][-]{subsection.5.7}{Bond Lengths}{section.5}% 342
\BOOKMARK [2][-]{subsection.5.8}{Covalent Radius}{section.5}% 343
\BOOKMARK [2][-]{subsection.5.9}{Bond Angles}{section.5}% 344
\BOOKMARK [2][-]{subsection.5.10}{Torsion Angles}{section.5}% 345
\BOOKMARK [2][-]{subsection.5.11}{Z-Matrix Format}{section.5}% 346
\BOOKMARK [2][-]{subsection.5.12}{Out-of-Plane Angles}{section.5}% 347
\BOOKMARK [2][-]{subsection.5.13}{Center of Mass}{section.5}% 348
\BOOKMARK [2][-]{subsection.5.14}{Moment of Inertia}{section.5}% 349
\BOOKMARK [2][-]{subsection.5.15}{Rotational Constants}{section.5}% 350
\BOOKMARK [2][-]{subsection.5.16}{Energy Functions}{section.5}% 351
\BOOKMARK [2][-]{subsection.5.17}{Molecular Mechanics}{section.5}% 352
\BOOKMARK [2][-]{subsection.5.18}{Force Field Parameters}{section.5}% 353
\BOOKMARK [2][-]{subsection.5.19}{Atom Types}{section.5}% 354
\BOOKMARK [2][-]{subsection.5.20}{MM Bond Stretch Terms}{section.5}% 355
\BOOKMARK [2][-]{subsection.5.21}{MM Angle Bend Terms}{section.5}% 356
\BOOKMARK [2][-]{subsection.5.22}{MM Torsion Strain Terms}{section.5}% 357
\BOOKMARK [2][-]{subsection.5.23}{MM Out-of-Plane Terms}{section.5}% 358
\BOOKMARK [2][-]{subsection.5.24}{MM van der Waals Terms}{section.5}% 359
\BOOKMARK [2][-]{subsection.5.25}{MM Electrostatics Terms}{section.5}% 360
\BOOKMARK [2][-]{subsection.5.26}{MM Cross Terms}{section.5}% 361
\BOOKMARK [2][-]{subsection.5.27}{MM Program}{section.5}% 362
\BOOKMARK [2][-]{subsection.5.28}{Energy Gradient}{section.5}% 363
\BOOKMARK [2][-]{subsection.5.29}{Energy Minimization}{section.5}% 364
\BOOKMARK [2][-]{subsection.5.30}{Steepest Descent}{section.5}% 365
\BOOKMARK [2][-]{subsection.5.31}{Conjugate Gradient}{section.5}% 366
\BOOKMARK [2][-]{subsection.5.32}{Ensemble Properties}{section.5}% 367
\BOOKMARK [2][-]{subsection.5.33}{Thermal Energy}{section.5}% 368
\BOOKMARK [2][-]{subsection.5.34}{Boundary Conditions}{section.5}% 369
\BOOKMARK [2][-]{subsection.5.35}{Molecular Dynamics}{section.5}% 370
\BOOKMARK [2][-]{subsection.5.36}{MD Program}{section.5}% 371
\BOOKMARK [2][-]{subsection.5.37}{Monte Carlo}{section.5}% 372
\BOOKMARK [2][-]{subsection.5.38}{Metropolis Monte Carlo}{section.5}% 373
\BOOKMARK [2][-]{subsection.5.39}{MC Program}{section.5}% 374
\BOOKMARK [2][-]{subsection.5.40}{Simulated Annealing}{section.5}% 375
\BOOKMARK [2][-]{subsection.5.41}{Molecular Hamiltonian}{section.5}% 376
\BOOKMARK [2][-]{subsection.5.42}{Atomic Units}{section.5}% 377
\BOOKMARK [2][-]{subsection.5.43}{Born-Oppenheimer Approximation}{section.5}% 378
\BOOKMARK [2][-]{subsection.5.44}{Spin Orbitals}{section.5}% 379
\BOOKMARK [2][-]{subsection.5.45}{Hartree Product}{section.5}% 380
\BOOKMARK [2][-]{subsection.5.46}{Anti-Symmetry Principle}{section.5}% 381
\BOOKMARK [2][-]{subsection.5.47}{Slater Determinants}{section.5}% 382
\BOOKMARK [2][-]{subsection.5.48}{Excited Determinants}{section.5}% 383
\BOOKMARK [2][-]{subsection.5.49}{N-Electron Wavefunctions}{section.5}% 384
\BOOKMARK [2][-]{subsection.5.50}{Restricted Determinants}{section.5}% 385
\BOOKMARK [2][-]{subsection.5.51}{One-Electron Integrals}{section.5}% 386
\BOOKMARK [2][-]{subsection.5.52}{Two-Electron Integrals}{section.5}% 387
\BOOKMARK [2][-]{subsection.5.53}{Spin Integration}{section.5}% 388
\BOOKMARK [2][-]{subsection.5.54}{Hartree-Fock Approximation}{section.5}% 389
\BOOKMARK [2][-]{subsection.5.55}{Hartree-Fock Energy}{section.5}% 390
\BOOKMARK [2][-]{subsection.5.56}{Coulomb and Exchange Operators}{section.5}% 391
\BOOKMARK [2][-]{subsection.5.57}{Fock Operator}{section.5}% 392
\BOOKMARK [2][-]{subsection.5.58}{Functional Variation}{section.5}% 393
\BOOKMARK [2][-]{subsection.5.59}{Minimum Determinant Energy}{section.5}% 394
\BOOKMARK [2][-]{subsection.5.60}{Canonical Hartree-Fock Equations}{section.5}% 395
\BOOKMARK [2][-]{subsection.5.61}{Koopman's Theorem}{section.5}% 396
\BOOKMARK [2][-]{subsection.5.62}{Restricted Hartree-Fock}{section.5}% 397
\BOOKMARK [2][-]{subsection.5.63}{Hartree-Fock-Roothaan Equations}{section.5}% 398
\BOOKMARK [2][-]{subsection.5.64}{Density Matrix}{section.5}% 399
\BOOKMARK [2][-]{subsection.5.65}{Fock Matrix}{section.5}% 400
\BOOKMARK [2][-]{subsection.5.66}{Orthogonalization}{section.5}% 401
\BOOKMARK [2][-]{subsection.5.67}{Self-Consistent Field}{section.5}% 402
\BOOKMARK [2][-]{subsection.5.68}{Population Analysis}{section.5}% 403