Research Catalog

Molecular modeling of inorganic compounds

Title
  1. Molecular modeling of inorganic compounds / Peter Comba, Trevor W. Hambley.
Published by
  1. New York : VCH, 1995.
Author
  1. Comba, Peter.

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Details

Additional authors
  1. Hambley, Trevor W.
Description
  1. x, 197 pages : illustrations; 25 cm
Subject
  1. Chemical models
  2. Inorganic compounds > Mathematical models
Contents
  1. 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.
Owning institution
  1. Columbia University Libraries
Bibliography (note)
  1. Includes bibliographical references and indexes.