Molecular Modeling of Inorganic Compounds
2nd Edition
Published on 16. January 2001
Book
Hardback
337 pages
978-3-527-29915-7 (ISBN)
Description
In many branches of chemistry, Molecular Modeling is a well-established and powerful tool for the investigation of complex structures. The second revised and expanded edition of this well-recognized book shows how Molecular Modeling can be successfully applied to inorganic and coordination compounds.
A completely new section covers 20 tutorial lessons based on examples discussed in the book itself or cited from other sources. The software enclosed provides practical training parallel to those lessons. Therefore, this book will be invaluable to both the experienced scientist working in the field as well as to the newcomer.
A completely new section covers 20 tutorial lessons based on examples discussed in the book itself or cited from other sources. The software enclosed provides practical training parallel to those lessons. Therefore, this book will be invaluable to both the experienced scientist working in the field as well as to the newcomer.
Reviews / Votes
"For those who want to develop and use force fields, the book provides a good grounding." (Chemistry in Britain) "...it is an excellent book, which gives a clear introduction to molecular mechanics in general and applications to coordination compounds in particular." (Recueil des Traveaux Chimiques des Pays-Bas) "...explains the applications of molecular modeling to inorganic and coordination compounds." (SciTech Book News, Vol. 26, No. 2, June 2002) "...a book for several audiences...discusses the recent developments that permit the modeling of larger inorganic compounds." (The Chemist, Summer 2003)More details
Edition
2., vollst. überarb. u. erw. Aufl.
Language
English
Place of publication
Weinheim
Germany
Target group
College/higher education
Professional and scholarly
Edition type
Revised edition
Illustrations
155
47 s/w Tabellen, 155 s/w Abbildungen
Illustrations
Dimensions
Height: 24 cm
Width: 17 cm
Weight
805 gr
ISBN-13
978-3-527-29915-7 (9783527299157)
Schweitzer Classification
Other editions
New editions
Peter Comba | Trevor W. Hambley | Bodo Martin
Molecular Modeling of Inorganic Compounds
Book
08/2009
3rd Edition
Wiley-VCH
€205.00
Article exhausted; check different version
Additional editions
Peter Comba | Trevor W. Hambley
Molecular Modeling of Inorganic Compounds
E-Book
07/2008
2nd Edition
Wiley-VCH
€133.99
Available for download
Previous edition
Peter Comba | Trevor W. Hambley
Molecular Modeling of Inorganic Compounds
Book
09/1995
Wiley-VCH
€86.80
Article exhausted; check for reprint
Content
Preface; Preface to the Second Edition; THEORY; Introduction; Molecular Modeling Methods in Brief; Parameterization, Approximations and Limitations of Molecular Mechanics; Computation; The Multiple Minima Problem; Conclusions; APPLICATIONS; Structural Aspects; Stereoselectivities; Metal Ion Selectivity; Spectroscopy; Electron Transfer; Electronic Effects; Bioinorganic Chemistry; Organometallics; Compounds with s-, p- and f-Block Elements; PRACTICE OF MOLECULAR MECHANICS; The Model, the Rules and the Pitfalls; Tutorial; Appendix 1: Glossary; Appendix 2: Fundamental Constants, Units and Conversion Factors; Appendix 3: Software and Force Fields; Appendix 4: Books on Molecular Modeling and Reviews on Inorganic Molecular Modeling; References; Index