Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley and Bodo Martin.
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TextPublication 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.)
- 541.22 COM/Mol 22
- QD480 .C66 2009
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| 541.22 AGA/Mol Molecular symmetry in chemistry via group theory | 541.22 ARU/Mol Molecular structure & spectroscopy | 541.22 ARU/Mol Molecular structure & spectroscopy | 541.22 COM/Mol Molecular modeling of inorganic compounds / | 541.22 RAN/Str Structural methods in molecular inorganic chemistry | 541.22011 HIN/Che Chemical modelling applications and theory volume 3 | 541.223 MAH/Org Organic stereochemistry: terms, definitions and applications |
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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