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Molecular Electronic Structure
This note is intended for graduate students who specialize in computational or theoretical quantum chemistry. Its goal is to have students acquire skills essential for developing new computational methodologies broadly applicable to atomic, molecular, solid-state chemistry.
Author(s): So Hirata
NA Pages 
This note explains the following topics:The Interaction between two Molecules, Interaction of Macroscopic Bodies, The Effective Interaction between two Molecules, Electrostatic Forces.
Author(s): Gunnar Karlstrom and Bo Jonsson
70 Pages
Molecular Electronic Structure
This note is intended for graduate students who specialize in computational or theoretical quantum chemistry. Its goal is to have students acquire skills essential for developing new computational methodologies broadly applicable to atomic, molecular, solid-state chemistry.
Author(s): So Hirata
NA Pages
Molecular Modeling Lecture Notes
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.
Author(s): Jay Ponder
NA Pages
This is one of the longest running chemistry web pages on the internet (started in January 1996). Each month since then a new molecule has been added to the list on this page.
Author(s): Paul May
NA Pages
Molecular Orbital Theory (PDF 285p)
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.
Author(s): Carl Ballhausen, Harry Gray
285 Pages
Molecular Electronic Structures an introduction (PDF 139P)
This book is an introduction to molecular electronic structural theory. It is aimed at students who have reasonable familiarity with differential and integral calculus and are beginning a study of the physical description of chemical systems.
Author(s): Carl J. Ballhausen, Harry B. Gray
139 PagesAdvertisement
