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

By: Contributor(s): Material type: TextTextPublication details: Weinheim : Wiley-VCH, 2009.Edition: 3rd completely rev. and enl. edDescription: xviii, 326 p. : ill. ; 24 cm. 1 CD-ROM (4 3/4 in.)ISBN:
  • 9783527317998 (hbk.)
  • 3527317996 (hbk.)
Subject(s): DDC classification:
  • 541.22 COM/Mol 22
LOC classification:
  • QD480 .C66 2009
Online resources:
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.
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Holdings
Item type Current library Call number Status Date due Barcode
Books Books Goa University Library General Stacks 541.22 COM/Mol (Browse shelf(Opens below)) Available 142026

Includes bibliographical references and index.

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.

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.

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