Classical and Quantum Dynamics of van der Waals Molecules   and Clusters
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Richard Hilderbrandt', 'PO_EMAI': None, 'PO_PHON': None}
Dr. Stephen Gray is supported by a grant from The Theoretical                   and Computational Chemistry Program to perform theoretical                      studies of the dissociation dynamics of van der Waals clusters.                 Classical dynamics and time-dependent quantum dynamics will be                  used to study the bottlenecks to energy flow and chemical                       reactivity in these systems.  Systems which have been chosen                    for study are ones for which excellent experimental results                     already exist for comparison with the theoretical calculations.                                                                                                 Numerically exact classical and time-dependent quantum dynamics                 calculations on several experimentally interesting van der                      Waals systems will be carried out.  Nonlinear resonances                        between vibrational and/or rotational modes, and phase space                    bottlenecks to energy flow and chemical reactivity will be                      examined in hopes of explaining the lifetimes and product                       distributions of these compounds.  A variety of nonlinear                       dynamics ideas and methods including, for example, simple phase                 space projections, local estimates of frequencies, and                          exponential separations will be applied to each system of                       interest.  Gray also proposes to develop an alternative to the                  very successful RRKM theory for estimating van der Waals                        unimolecular decomposition rates.
{'FirstName': 'Stephen', 'LastName': 'Gray', 'PI_MID_INIT': 'K', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Stephen K Gray', 'EmailAddress': None, 'NSF_ID': '000463247', 'StartDate': '08/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Northern Illinois University', 'CityName': 'DEKALB', 'ZipCode': '601152828', 'PhoneNumber': '8157531581', 'StreetAddress': '1425 W LINCOLN HWY', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '16', 'CONGRESS_DISTRICT_ORG': 'IL16', 'ORG_UEI_NUM': 'M2EEE68GGCY9', 'ORG_LGL_BUS_NAME': 'NORTHERN ILLINOIS UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
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