US-France Cooperative Research:  Structure/Reactivity       Relationships in Transition Metal Chemistry
{'Code': '01090000', 'Directorate': {'Abbreviation': 'O/D', 'LongName': 'Office Of The Director'}, 'Division': {'Abbreviation': 'OISE', 'LongName': 'Office Of Internatl Science &Engineering'}}
{'SignBlockName': 'Pierre Perrolle', 'PO_EMAI': None, 'PO_PHON': None}
This award will support collaborative research between Dr. Kenneth              Caulton and colleagues at Indiana University, Bloomington, and Dr.              Odile Eisenstein, Laboratory for Theoretical Chemistry, University              of Paris-Sud.  The project will combine the strengths of the Paris              laboratory, which has a long tradition in applied semi-empirical                quantum chemistry, with the experience of the Indiana group in                  experimental and rigorous quantum chemistry.                                                                                                                    A joint program of theoretical analysis of on-going experimental                inorganic and organometallic chemistry will be carried out.  The                theory will be on two levels:  one, a semi-empirical procedure                  which employs molecular symmetry and atomic parameters                          (properties) of intuitive transparency to experimental chemists,                and a second which is more rigorous and more general.  The                      specific topics to be investigated cover a broad range of                       fundamentally significant themes in inorganic and organometallic                chemistry:  reagents for organic synthesis, molecular hydrogen as               a ligand, hydrogenation and coupling of olefinic ligands, and the               structure and dynamics of bridged multimetal compounds.                         Sophisticated "ab initio" calculations will be used to probe                    experimental data where subtle influences are suspected to be                   controlling, as well as to test the reliability of the                          semi-empirical molecular orbital methods.
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{'Name': 'Indiana University', 'CityName': 'BLOOMINGTON', 'ZipCode': '474057000', 'PhoneNumber': '3172783473', 'StreetAddress': '107 S INDIANA AVE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Indiana', 'StateCode': 'IN', 'CONGRESSDISTRICT': '09', 'CONGRESS_DISTRICT_ORG': 'IN09', 'ORG_UEI_NUM': 'YH86RTW2YVJ4', 'ORG_LGL_BUS_NAME': 'TRUSTEES OF INDIANA UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '591800', 'Text': 'FRANCE'}
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