Molecular Modeling of Inorganic Compounds, Third Edition
Copyright © 2009 Wiley-VCH Verlag GmbH & Co. KGaA
Author(s): Prof. Dr. Peter Comba, Prof. Dr. Trevor W. Hambley, Dr. Bodo Martin
Published Online: 2 DEC 2009
Print ISBN: 9783527317998
Online ISBN: 9783527628124
About this Book
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.