Coupled Vibrational Modes and Chemical Dynamics
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'David M. Stanbury', 'PO_EMAI': None, 'PO_PHON': None}
This project in the Theoretical and Computational Chemistry                     Program concerns the development and application of methods for                 approximate computation of coupled vibrational motions of                       nuclei in molecules.  Applications will include studies of van                  der Waals molecule dissociation, intramolecular vibrational                     relaxation, isomerization reactions, and vibrational eigenvalue                 studies.                                                                                                                                                        Particular emphasis will be placed on development of mean-field                 techniques expressed in optimized general coordinates.  Such a                  treatment will allow for consideration of more complex chemical                 systems than are currently accessible by exact quantum                          techniques.
{'FirstName': 'Mark', 'LastName': 'Ratner', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Mark A Ratner', 'EmailAddress': 'ratner@northwestern.edu', 'NSF_ID': '000088277', 'StartDate': '05/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Northwestern University', 'CityName': 'EVANSTON', 'ZipCode': '602080001', 'PhoneNumber': '3125037955', 'StreetAddress': '633 CLARK ST', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '09', 'CONGRESS_DISTRICT_ORG': 'IL09', 'ORG_UEI_NUM': 'EXZVPWZBLUE8', 'ORG_LGL_BUS_NAME': 'NORTHWESTERN UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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