This book was designed primarily for advanced-undergraduate and
first-year graduate students as an introduction to molecular orbital theory.
Topics covered includes: Atomic Orbitals, Diatomic Molecules, Electronic States
of Molecules, Hybridization, Band Intensities, Triatomic Molecules, Selected
Molecules with Four or More Atoms and Molecular Orbitals Involving d Valence
Orbitals.
This note explains the
following topics:The Interaction between two Molecules, Interaction of
Macroscopic Bodies, The Effective Interaction between two Molecules,
Electrostatic Forces.
This lecture note explores a wide range of techniques and applications in
molecular modeling and computational chemistry. Topics covered includes: ab
Initio and Semi-Empirical Quantum Mechanics, Molecular Mechanics and Dynamics
Simulation, Electrostatics, Coarse Graining Biomolecular Structure Prediction,
Advanced Electrostatics for Force Fields, Molecular Dynamics Simulation, Monte
Carlo Methods.