Now showing items 21-30 of 119
Vibrational analysis of peptides, polypeptides, and proteins. XXXII. Α-Poly( L -glutamic acid)
(Wiley Subscription Services, Inc., A Wiley Company, 1985-08)
The Raman and ir spectra of Α-helical poly( L -glutamic acid) have been assigned on the basis of a normal mode calculation for this structure. The force field was based on our previously refined main-chain force constants ...
Vibrational analysis of 2,3,4-trichloropentanes
(Elsevier, 1990)
One meso form and the racemic isomer of 2,3,4-trichloropentane have been synthesized, and their infrared and Raman spectra analysed on the basis of a general force field refined for multiply-chlorinated hydrocarbons. ...
Treatment of redundancies among internal coordinates in optimizing molecular mechanics force constants
(John Wiley & Sons, Inc., 1992-11)
The use of redundant coordinate bases in the construction of molecular mechanics force fields is discussed. It is shown that the intrinsic indeterminacy in a force field in redundant coordinates in general stems from the ...
Raman and normal mode studies of the polypeptide chain conformations in crystalline magnesium and calcium poly(-glutamate)s
(Elsevier, 1985)
An analysis of the Raman spectra of dry crystalline magnesium and calcium poly(-glutamate)s, based on a normal mode calculation of [alpha]-helical poly(-glutamate), shows that the polypeptide chains in both salts have an ...
Infrared spectra of high polymers. VI. Polystyrene Presented in part at the American Physical Society, Philadelphia, Pennsylvania, March, 1957.
(Interscience Publishers, Inc.Wiley Periodiocals, Inc., 1958)
The infrared spectrum of polystyrene has been obtained in the region of 70 cm. −1 to 3200 cm. −1 . These data, plus Raman scattering data from the literature, are used to make a complete assignment of the normal modes of ...
Ein Cubancluster mit dem [MoFe 3 S 4 ] 0 -GerÜst und seine mÖgliche Relevanz im Hinblick auf die Fe 3 -Zentren in Ferredoxinen: das [Fe 3 S 4 (SEt) 3 Mo(CO) 3 ] 3⊖ -Ion Professor Hans Bock zum 60. Geburtstag gewidmet Diese Arbeit wurde von den National Institutes of Health (GM-26671) gefÖrdert.
(WILEY-VCH Verlag GmbH, 1988-10)
No Abstract.
Vibrational analysis of glutathione
(Wiley Subscription Services, Inc., A Wiley Company, 1994-10)
Infrared and Raman spectra have been obtained of crystalline glutathione and its deuterated derivative and interpreted by normal mode analysis. The force field consisted of our empirical force fields for the peptide group ...
An infrared study of unordered poly- L -proline in CaCL 2 solutions
(Wiley Subscription Services, Inc., A Wiley Company, 1971-12)
Infrared spectra have been obtained of poly- L -proline in aqueous CaCl 2 solutions. As the salt concentration is increased, the C[bouble bond]O stretching band develops a component at the frequency found in the solid ...
Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field
(John Wiley & Sons, Inc., 1998-05)
A new electrostatic model for the calculation of infrared intensities in molecular mechanics and molecular dynamics is presented. The model is based on atomic charges, atomic charge fluxes, and internal coordinate dipoles ...