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Physical Chemistry Through Computer Simulations

Physical Chemistry Through Computer Simulations

Quantum Mechanics

Math Prerequisites
Introduction
Foundation of Quantum Theory
Simple Quantum Mechanical Models and Solutions
Hydrogen-Like Atom
Approximation Methods
Electron Spin (Quantum Mechanics Concept)
System Containing Only One Atom
System Containing Two Atoms (Diatomic System)
Hybrid Orbitals in Polyatomic Molecule
Symmetry, Group Theory, Representation Theory and Thier Application to Chemistry
Molecular Spectroscopy
Resonance by Variational Methods

Thermodynamics

Math Prerequisites
Transition from Classical to Statistical Mechanics
Boltzmann Distribution
State function, dealing with partial derivatives
Energy, Entropy and Temperature
Free Energy, Pressure, & Gas Laws
Maxwell Relation, Basic Thermodynamics Process, Second and Third Laws of Thermodynamics
The Equipartition Principle
Chemical Potential
Thermodynamics of Mixing
Chemical Equilibrium
Reaction Dynamics and Kinetics
Chemistry of Fluid

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By Hideya Koizumi & Eiko Koizumi

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