Molecular Modeling of Inorganic Compounds, Third Edition

Molecular Modeling of Inorganic Compounds, Third Edition

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

DOI: 10.1002/9783527628124

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.

Table of contents

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  1. Part I: Theory

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  2. Part II: Applications

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  3. Part III: Practice of Molecular Mechanics

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