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.
Rezensionen / Stimmen
"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)
Auflage
2., vollst. überarb. u. erw. Aufl.
Sprache
Verlagsort
Zielgruppe
Für höhere Schule und Studium
Für Beruf und Forschung
Editions-Typ
Illustrationen
155
47 s/w Tabellen, 155 s/w Abbildungen
Illustrations
Maße
Gewicht
ISBN-13
978-3-527-29915-7 (9783527299157)
Schweitzer Klassifikation
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
