Classical and Semiclassical Mechanics of Molecules
{'Code': '03090004', 'Directorate': {'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'David M. Stanbury'}
The proposed research is concerned with classical and                           semiclassical theories of molecular bound states and                            intramolecular dynamics.  Many new experimental techniques are                  now able to probe the properties of highly excited molecular                    vibrational and vibration-rotation states in unprecedented                      detail, and the interpretation of such experiments poses severe                 challeges for theory.  The present work aims to address these                   theoretical problems via unified treatment of the spectroscopy                  and dynamics of highly excited states.  Practical and efficient                 methods for semiclassical quantization of multidimensional                      systems are to be developed, and these and other methods will be                applied to studying the statics and dynamics of small molecules                 of current experimental interest.                                                                                                                               The significance of this basic research in Theoretical and                      Computational Chemistry lies in its contribution to a detailed                  understanding of the way in which energy flows within a molecule                and the consequences of these details for knowing which bonds                   will break in a chemical reaction.
{'FirstName': 'Gregory', 'LastName': 'Ezra', 'EmailAddress': 'gse1@cornell.edu', 'StartDate': '09/01/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Cornell University', 'CityName': 'Ithaca', 'ZipCode': '148502820', 'PhoneNumber': '6072555014', 'StreetAddress': '373 Pine Tree Road', 'CountryName': 'United States', 'StateName': 'New York', 'StateCode': 'NY'}
{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8704632.xml'}