Molecular modelling of inorganic compounds

Molecular modelling of inorganic compounds

Peter Combs, Trevor Hambley and Bodo Martin

Weinheim, Germany: Wiley-VCH 2009 | 326pp | ?103.00 (HB)

ISBN 9783527317998

Reviewed by Brendan Howlin


This is the third edition of this book, enlarged and expanded with a CD included and it basically tells you all you need to know about molecular modelling of inorganic compounds.

The book starts from the sensible position that to understand molecular modelling of inorganics you first need to understand molecular modelling of organics. Hence the first five chapters are of use to any student wanting to know the background to molecular mechanics and molecular orbital methods.

The rest of the book is a series of good exercises on for example cavity sizes of macrocycles. Of particular value is the authors’ concern with the possible pitfalls and problems that may arise. This has often been a criticism of molecular modelling, whereas in any other technique you need to understand what you are doing in order to produce decent results. All in all I found this to be an excellent book but the high price tag may lead to it not being as widely read as it deserves.