Molecular modeling of inorganic compounds
By: Peter Comba, Trevor W. Hambley and Bodo Martin
Contributors: Hambley, Trevor W.; Martin, Bodo
Edition: 3rd completely rev. and enl. ed.
Publisher: Wiley-VCH
Published: 2009
Place of publication: Weinheim
Language: eng
Number of pages: 326
ISBN-13: 9783527317998
Description: Molecular modeling is a well-established and powerful tool for the investigation of complex structures. This text shows how this method can be applied to inorganic and coordination compounds.
Notes: Includes bibliographical references (p. 301-321) and index.
Table of contents: title: pt. 1. Theory. Introduction; title: Molecular modeling methods in brief; title: Parameterization, approximations and limitations of molecular mechanics; title: Computation; title: The multiple minima problem; title: Conclusions; title: pt. 2. Applications. Structural aspects; title: Stereoselectivities; title: Metal ion selectivity; title: Spectroscopy; title: Electron transfer; title: Electronic effects; title: Bioinorganic chemistry; title: Organometallics; title: Compounds with s-, p-, and f-block elements; title: pt. 3. Practice of molecular mechanics. The model, the rules, and the pitfalls; title: Tutorial.