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QuantumChemistry/Boltzmann
Boltzmann Distribution


QuantumChemistry/CorrelationEnergies
Electron Correlation and Correlation Energy

QuantumChemistry/DFT
Density Functional Theory


QuantumChemistry/Entropy&FreeEnergy
Entropy and Free Energy

QuantumChemistry/GeometryOptimizations
Geometry Optimization and Normal Modes


QuantumChemistry/HeatCapacity
Heat Capacity of Real Gases

QuantumChemistry/KoopmansTheorem
Koopman's Theorem with Applications in Medicine

QuantumChemistry/MaxwellBoltzmann
Maxwell-Boltzmann Distribution

QuantumChemistry/MBPT2
Many-Body Perturbation Theory

QuantumChemistry/MolecularIEs
Koopman's Theorem and Molecular IEs

QuantumChemistry/MolecularOrbitals
Molecular Orbitals of Hydrogen Fluoride

QuantumChemistry/ParticleInBox-Dyes
A Particle in a Symmetric Box: With Applications to UV/Vis Spectroscopy

QuantumChemistry/ParticleInBox
A Particle in a Symmetric Box: With Application to Hydrogen Chain

QuantumChemistry/PeriodicTrends-IEs
Periodic Trends in Ionization Energies of Atoms

QuantumChemistry/PhotoelectricEffect
The Photoelectric Effect

QuantumChemistry/StatisticalThermodynamics
Statistical Thermodynamics: Calculating Thermodynamic Functions ΔH, ΔG, and ΔS

QuantumChemistry/ThermodynamicsOfCombustion
Calculating Reaction Thermodynamics for Combustion of Methane

QuantumChemistry/TransitionsInButadiene
Electronic Transitions in 1,3-Butadiene

QuantumChemistry/Variational2RDMTheory
Variational 2-RDM Method

QuantumChemistry/VariationalTheorem
Approximation Methods: The Variational Theorem

QuantumChemistry/VibrationalSpectroscopy-PES
Vibrational Spectroscopy: Calculating the Rovibrational Spectrum of a Diatomic Molecule

QuantumChemistry/VibrationalSpectroscopy
Vibrational Spectroscopy: Calculating the Rovibrational Spectrum of a Diatomic Molecule

QuantumChemistry/VSEPR
Valence-Shell Electron Pair Repulsion

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