Computational Chemistry and Molecular Modeling: Principles and Applications

by Gopakumar Deepa and K.I. Ramachandran

Book Overview

Symmetry and Point Groups.- Quantum Mechanics: A Brief Introduction.- H ckel Molecular Orbital Theory.- Hartree-Fock Theory.- Basis Sets.- Semiempirical Methods.- The Ab Initio Method.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- The Modeling of Molecules Through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular Modeling.- Basic Mathematics for Computational Chemistry...

• Format: Paperback
• Language: English
• ISBN: 3642095984
• ISBN13: 9783642095986
• Release Date: October 2010
• Publisher: Springer
• Length: 398 Pages
• Weight: 1.29 lbs.
• Dimensions: 0.9" x 6.1" x 9.2"