๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Molecular Modeling || Software and Force Fields

โœ Scribed by Comba, Peter; Hambley, Trevor W.

Book ID
120378208
Publisher
Wiley-VCH Verlag GmbH
Year
1995
Tongue
German
Weight
436 KB
Edition
1
Category
Article
ISBN
3527290761

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โœฆ Synopsis

  1. Introduction -- 2. Parameterization, Approximations And Limitations -- 3. Computation -- 4. The Multiple Minima Problem -- 5. Conclusions -- 6. Structural Aspects -- 7. Stereoselectivities -- 8. Metal Ion Selectivity -- 9. Spectroscopy -- 10. Electron Transfer -- 11. Electronic Effects -- 12. Bioinorganic Chemistry -- 13. Organometallics -- 14. Compounds With S, P And F Block Elements -- 15. Developing A Force Field -- 16. Carrying Out The Calculations -- 17. Interpreting And Using The Results -- Fundamental Constants, Units And Conversion Factors -- Software And Force Fields. Peter Comba, Trevor W. Hambley. Includes Bibliographical References And Index.

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