Theoretical Studies of Collision 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 funded in the Theoretical and Computational                        Chemistry Program involves theoretical studies of chemically                    reactive collisions.  Attention will be focused on elucidation                  of current fundamental experiments in which an electron is                      detached from ClHCl- to form neutral ClHCl. This species is not                 stable, quickly dissociating to Cl+HCl.  However it is                          metastable, with a short but significant lifetime due to the                    existence of resonance states.  This then provides an important                 prototype system for study of the influence of resonances on                    the mechanisms of chemical reactions.                                                                                                                           The project will utilize a reduced dimensionality theory of                     reactive scattering to characterize the resonances at and near                  the transition state geometry determined by ab initio                           electronic structure calculations.  The vibrational wave                        functions will be used to carry out a three-dimensional                         Franck-Condon analysis for comparison to experimental results.
{'FirstName': 'Joel', 'LastName': 'Bowman', 'PI_MID_INIT': 'M', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Joel M Bowman', 'EmailAddress': 'jmbowma@emory.edu', 'NSF_ID': '000097282', 'StartDate': '08/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Emory University', 'CityName': 'ATLANTA', 'ZipCode': '303221061', 'PhoneNumber': '4047272503', 'StreetAddress': '201 DOWMAN DR NE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Georgia', 'StateCode': 'GA', 'CONGRESSDISTRICT': '05', 'CONGRESS_DISTRICT_ORG': 'GA05', 'ORG_UEI_NUM': 'S352L5PJLMP8', 'ORG_LGL_BUS_NAME': 'EMORY UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8723042.xml'}