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 National Science
Foundation Award #9215194 |
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Theoretical Studies of Unimolecular Dissociations |
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| Investigator(s): |
Stephen Klippenstein (PI)
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| Sponsor: |
Case Western Reserve University, OH 44106 2163684510
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| Start Date/Expiration Date |
1992-08-15 to 1994-07-31 (amended 1992-08-11) |
| Awarded Amount to Date: |
$126,000 |
| Abstract: The Theoretical and Computational Chemistry Program of the Chemistry Division is supporting research by Dr. Klippenstein for an investigation of unimolecular reaction rate theory. A variational statistical approach is used for dissociation reactions in which there is no barrier to the reverse recombination process. Comparison of theory with experiment is based on use of potential energy surfaces computed ab initio. %%% Understanding of the rates at which chemical reactions occurs has lagged far behind understanding of reaction energetics. Modern computational methods and new theoretical advances are now making it possible to make progress on this long-standing problem. This award is for a frontier effort in that direction. |
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| NSF Org: |
CHE - Division of Chemistry |
| Award Number: |
9215194 |
| Award Instrument: |
Standard Grant |
| Program Manager: |
Paul S. Bagus
CHE Division of Chemistry
MPS Directorate for Mathematical & Physical Sciences
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| NSF Program(s): |
SPECIAL PROGRAMS-RESERVE |
| Field Application(s): |
Chemistry, Other nsf.applications NEC |
| Program Element Code(s): |
9145 |
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