Vibrational Spectra and Structure of Macromolecules
{'Code': '03070007', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'DMR', 'LongName': 'Division Of Materials Research'}}
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Theoretical methods, such as normal mode analysis and ab initio                 calculations, are being combined with experimental studies to                   provide rigorous analyses of infrared and Raman spectra of                      macromolecules in terms of their structures and morphologies.                   The present research covers five areas:  (1) a study of the                     longitudinal  acoustic mode in poly(ethylene oxide) as an example               of a helical polymer, incorporating normal mode analyses of the                 effects of intermolecular forces and chain defects on this mode;                (2) a study of chain conformations in chlorinated poly(vinyl                    chloride) by normal mode analysis, involving refinement of a                    force field for vicinally chlorinated hydrocarbons; (3) a study                 of surface enhanced Raman spectra of poly(vinylpyridine) in order               to characterize the interaction of the polymer with a metal                     surface, starting with a detailed normal node analysis of such                  spectra of the monomer; (4) a study of spectra and structure in                 polyprolines, based on a refinement of a force field for the                    imide group in N,N-dimethylacetamide; and (5) a study of the                    dependence of polypeptide force field on conformation, based on                 ab initio calculations on dipeptides.  These studies will provide               new insights into general and specific features of the                          relationships between spectra and structure of macromolecules.
{'FirstName': 'Samuel', 'LastName': 'Krimm', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Samuel Krimm', 'EmailAddress': 'skrimm@umich.edu', 'NSF_ID': '000123602', 'StartDate': '06/15/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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