Coverart for item
The Resource Molecular modeling, Peter Comba, Trevor W. Hambley

Molecular modeling, Peter Comba, Trevor W. Hambley

Label
Molecular modeling
Title
Molecular modeling
Statement of responsibility
Peter Comba, Trevor W. Hambley
Title variation
Molecular modeling of inorganic compounds
Creator
Contributor
Subject
Language
eng
Cataloging source
DLC
http://library.link/vocab/creatorName
Comba, Peter
Illustrations
illustrations
Index
index present
Literary form
non fiction
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorName
Hambley, Trevor W
http://library.link/vocab/subjectName
  • Inorganic compounds
  • Chemical models
Label
Molecular modeling, Peter Comba, Trevor W. Hambley
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
32822432
Dimensions
25 cm
Extent
x, 197 pages
Isbn
9783527290765
Lccn
95024487
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations
System control number
(WaOLN)1688276
Label
Molecular modeling, Peter Comba, Trevor W. Hambley
Publication
Bibliography note
Includes bibliographical references and index
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
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
Control code
32822432
Dimensions
25 cm
Extent
x, 197 pages
Isbn
9783527290765
Lccn
95024487
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations
System control number
(WaOLN)1688276

Library Locations

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      38.944491 -92.326012
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