Reviews in Computational Chemistry V7

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University. Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.

Aus dem Inhalt: Similarity Searching in Databases of Chemical Structures/Three-Dimensional Structure Database Searches/ Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials/ An Introduction to Density Functional Theory/ Density Functional Methods in Biomolecular Modeling/ The A Priori Calculation of Vibrational Circular Dichroism Intensities.