Franklin

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

Author/Creator:
Comba, Peter.
Publication:
Weinheim : Wiley-VCH, c2009.
Format/Description:
Book
xviii, 326 p. : ill. ; 25 cm. + 1 CD-ROM (col. ; 4 3/4 in.).
Edition:
3rd completely rev. and enl. ed.
Status/Location:
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Details

Subjects:
Inorganic compounds -- Mathematical models.
Chemical models.
System Details:
System requirements for accompanying CD-ROM: computer with Web access.
Summary:
Accompanying CD-ROM contains ... "a link to the Momec Web Site, where up-to-date versions of the program as well as tutorials and extra documentation can be obtained."--Opening screen.
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.
Notes:
Includes bibliographical references (p. 301-321) and index.
Local notes:
Acquired for the Penn Libraries with assistance from the Alumni and Friends Memorial Book Fund.
Contributor:
Hambley, Trevor W.
Martin, Bodo.
Alumni and Friends Memorial Book Fund.
ISBN:
9783527317998 (hbk.)
3527317996 (hbk.)
OCLC:
436259918