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Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley and Bodo Martin.
Chemistry Library - Books QD480 .C66 2009 1 v. + CD-ROM
Available
- Format:
- Book
- Author/Creator:
- Comba, Peter.
- Language:
- English
- Subjects (All):
- Inorganic compounds--Mathematical models.
- Inorganic compounds.
- Chemical models.
- Physical Description:
- xviii, 326 pages : illustrations ; 25 cm + 1 CD-ROM (color ; 4 3/4 in.)
- Edition:
- Third completely revised and enlarged edition.
- Place of Publication:
- Weinheim : Wiley-VCH, [2009]
- 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 (pages 301-321) and index.
- Local Notes:
- Acquired for the Penn Libraries with assistance from the Alumni and Friends Memorial Book Fund.
- ISBN:
- 9783527317998
- 3527317996
- OCLC:
- 436259918
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