Solvent-Clustered Anions
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
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This grant in the Theoretical and Computational Chemistry                  program will provide new structural and energy information                      about atomic and molecular negatively-charged ions which form                   clusters with a small number of solvent molecules.                              Accompanying these studies will be research efforts aimed at                    developing new theoretical tools specifically for applications                  to these molecular clusters.  While the research is basic and                   theoretical, it has significance for improved understanding of                  a number of experiments and experimental techniques, such as                    the newly-emerging field of gas-phase electrochemistry.                         Moreover, since the molecules to be studied include examples of                 some of the most basic functional groups in chemistry, these                    studies will have broad impact on our general knowledge of how                  chemicals behave.                                                                    Specifically, oxidation energies of the clusters,                          low-energy excited electronic states, and chemical reactions                    within the clusters will be extensively studied.  The anion                     species range from the commonly encountered (e.g., Cl-, OH-,                    O2H-, CN-) to quite novel systems (e.g., SiC-, C2-, Cu3-, Mg4-,                 Zn2-, and Ni4-) which are of great current interest to                          experimental researchers.  Theoretical development will include                 new computational techniques optimized for supercomputers.
{'FirstName': 'John', 'LastName': 'Simons', 'PI_MID_INIT': 'P', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'John P Simons', 'EmailAddress': 'simons@chemistry.utah.edu', 'NSF_ID': '000276701', 'StartDate': '11/01/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Utah', 'CityName': 'SALT LAKE CITY', 'ZipCode': '841129049', 'PhoneNumber': '8015816903', 'StreetAddress': '201 PRESIDENTS CIR', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Utah', 'StateCode': 'UT', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'UT01', 'ORG_UEI_NUM': 'LL8GLEVH6MG3', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF UTAH', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8704779.xml'}