Intermolecular Interactions and Theories of Clustering
{'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 is concerned with studies of the properties of                          molecular clusters.  Problems to be addressed include                           clustering around charged centers, at surfaces, in hydrogen                     bonded complexes, and in matrix isolation.  The goal is to                      provide a unified theoretical framework for description of a                    wide variety of clustering phenomena.                                                                                                                           The potential surfaces, forces, and torques that will be used                   for static and dynamic treatments will be based on high-level                   electrical interaction analyses, firmly rooted in high-quality                  electronic structure determinations of the properties of                        cluster constituents.  Methodological developments will involve                 the quantum chemical treatment of small molecules and the                       analysis of the interaction potentials in clusters.  A key                      aspect of this work is that it will test the uniform                            application of interactions ranging from the detailed                           spectroscopic parameters of hydrogen bonded dimers to the                       collective level of a hundred or more interacting species.
{'FirstName': 'Clifford', 'LastName': 'Dykstra', 'PI_MID_INIT': 'E', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Clifford E Dykstra', 'EmailAddress': 'dykstra@ilstu.edu', 'PI_PHON': '3094387661', 'NSF_ID': '000317062', 'StartDate': '03/15/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Illinois at Urbana-Champaign', 'CityName': 'URBANA', 'ZipCode': '618013620', 'PhoneNumber': '2173332187', 'StreetAddress': '506 S WRIGHT ST', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '13', 'CONGRESS_DISTRICT_ORG': 'IL13', 'ORG_UEI_NUM': 'Y8CWNJRCNN91', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF ILLINOIS', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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