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Author:

Comba, Peter.

Title:

Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley and Bodo Martin.

Edition:

3rd completely rev. and enl. ed.

Publisher:

Wiley-VCH,

Copyright Date:

2009

Description:

xviii, 326 p. : ill. ; 25 cm. + 1 CD-ROM (4 3/4 in.).

Subject:

Inorganic compounds--Mathematical models.
Chemical models.

Other Authors:

Hambley, Trevor W.
Martin, Bodo.

Notes:

Includes bibliographical references (p. 301-321) and index.

Contents:

pt. 1. Theory. Introduction -- Molecular modeling methods in brief -- Parameterization, approximations and limitations of molecular mechanics -- Computation -- The multiple minima problem -- Conclusions -- pt. 2. Applications. Structural aspects -- Stereoselectivities -- Metal ion selectivity -- Spectroscopy -- Electron transfer -- Electronic effects -- Bioinorganic chemistry -- Organometallics -- Compounds with s-, p-, and f-block elements -- pt. 3. Practice of molecular mechanics. The model, the rules, and the pitfalls -- Tutorial.

Summary:

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.

ISBN:

3527317996 (hbk.)
9783527317998 (hbk.)

OCLC:

(OCoLC)436259918

Locations:

USUX851 -- Iowa State University - Parks Library (Ames)

UNUX074 -- University of Northern Iowa - Rod Library (Cedar Falls)

PRAX771 -- Cowles Library (Des Moines)

OVUX522 -- University of Iowa Libraries (Iowa City)