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Peter Comba Trevor W Hambley and Bodo Martin Molecular Modeling of Inorganic Compounds (3rd Edition) Wiley-VCH 2009 344 pp.

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Book Review
Published online in Wiley Interscience: 29 April 2010
(www.interscience.com) DOI 10.1002/aoc.1661
Book Review
PETER COMBA, TREVOR W HAMBLEY AND BODO MARTIN
Molecular Modeling of Inorganic Compounds (3rd Edition)
Wiley-VCH, 2009, 344 pp.
price �5.00/�5.30 (hardback)
ISBN 978-3-527-31799-8
This is the third edition of a wellestablished text by three authors.
The first edition concentrated on
molecular mechanics, and ?was
aimed at students and scientists
who have a basic understanding
of inorganic chemistry?, which was
somewhat of a carte blanche. The
workhorse of modern computational chemistry is density functional theory, and this topic was
added in the second edition. A
superb feature of the book was
the tutorial based on the included
?free? software, Momec98. However, there was a catch, since you
also needed a copy of HyperChem 4.5 (or better) on your PC.
The present third edition is divided into three parts, just like
ancient Gaul; Gallia est omnis divisa in partes tres (Julius Caesar, De
bello Gallico 1.1.1).
Part I: Theory
This comprises a completely sound presentation of the molecular
mechanics methodology, followed by a very poor ?summary? of
modern computational quantum mechanics. This latter section
gets my prize for the largest number of acronyms, such as INDO,
per line, introduced without explanation. It is all there, but it is
breathless. This is obviously not a book for beginners as there
is no explanation of basic quantum mechanical techniques. For
example, STO-3G does not feature in the index. The contents are
just what you would expect, and are listed on the publisher?s
website.
stereoselectivities, metal ion selectivity, spectroscopy, electron transfer, electronic effects, bioinorganic chemistry,
organometallics and compounds with the s-, p- and f-block elements. The text is written in very long paragraphs. Appendix 2 is
particularly problematic and should be rewritten; equation (2.7) is
not consistent with SI units.
Part III: the Tutorial Section
So, why is a third edition necessary? There is the generic
justification in that the field of molecular modelling is still
developing. Whilst I agree with that, according to the authors:
Much of the work invested in this third edition of our
book went into writing Momec3. The Tutorial of Part III has
therefore been rewritten because it is based on the Momec3
program. The new version now includes its own molecular
graphics and is freely available without any restrictions on
its use.
The text comes with a CD, which you might think would be
a copy of Momec3, but this is not the case. Instead, readers are
directed to ?the Momec3 website where up-to-date versions of
the program as well as tutorials and extra documentation can be
obtained?. Most disappointingly, the link leads to:
Momec Version 3 has not yet been released. We have
some technical problems to sort out until we can make the
program available . . . sorry about this ? we are working on
it. Momec97 is available but you will need HyperChem 4.5
to display and edit molecules.
Most of our first year BSc Marketing students would have
suggested the desirability of a working product before market
launch. I give this text 0/10.
Alan Hinchliffe
The University of Manchester, UK
Part II: Applications
The authors have gone to a lot of trouble to select appropriate molecular mechanics applications: structural aspects,
538
Appl. Organometal. Chem. 2010, 24, 538
c 2010 John Wiley & Sons, Ltd.
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inorganic, vch, molecular, compounds, modeling, trevor, edition, 344, hambley, martin, 2009, combat, bodo, 3rd, peter, wiley
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