Description
Book SynopsisTHIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY.
FROM REVIEWS OF THE SERIES Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library.-JOURNAL OF COMPUTATIONAL CHEMISTRY.
These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry. -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING.
[This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own.-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.
Table of ContentsCalculations on Open-Shell Molecules: A Beginner's Guide (T. Bally & W. Borden).
Basis Set Superposition Errors: Theory and Practice (N. Kestner & J. Combariza).
Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids (J. Anderson).
Molecular Models of Water: Derivation and Description (A. Wallqvist & R. Mountain).
Simulation of pH-Dependent Properties of Proteins Using Mesoscopic Models (J. Briggs & J. Antosiewicz).
Structure Diagram Generation (H. Helson).
Indexes.
