Molecular Orbital Calculations for Biological Systems / Edition 1

by Anne-Marie Sapse

Overview

For the growing number of researchers in organic chemistry, biochemistry, and molecular biology who would like to augment their experiments with theoretical calculations, this book teaches the use of quantum chemical computer programs without going into the complete mathematical details.

Product Details

ISBN-13:	9780195098730
Publisher:	Oxford University Press, USA
Publication date:	01/28/1998
Series:	Topics in Physical Chemistry Series
Pages:	256
Product dimensions:	6.30(w) x 9.30(h) x 0.80(d)

About the Author

City University of New York Graduate School and John Jay College

Table of Contents

1. Ab Initio Calculations, Anne-Marie Sapse
2. An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists, Nigel G. J. Richards
3. The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions, Jane S. Murray and Peter Politzer
4. Applications of Density Functional Theory to Biological Systems, Tomasz A. Wesolowski and Jacques Weber
6. Ab Initio Studies of Anti-Cancer Drugs, Anne-Marie Sapse
7. Ab Initio Calculations of Amino Acids and Peptides, Lothar Schäfer, Susan Q. Newton, and Xiaoqin Jiang