Now showing items 111-119 of 119
A complete general valence force field for secondary chlorides
(Elsevier, 1973-12)
A general valence force field for secondary chlorides has been refined which includes torsional force constants based on assignments of low frequency modes in model compounds. This force field also incorporates force ...
Vibrational analysis of crystalline diketopiperazine--I. Raman and i.r. spectra
(Elsevier, 1984)
Raman and i.r. spectra have been obtained of diketopiperazine and five of its isotopic derivatives: (CONDCH2)2, (CONHCD2)2, (CONDCD2)2, (13CONHCH2)2 and (13CONDCH2)2. In addition to solution spectra and powder spectra at ...
Optimization of parameters of nonbonded interactions in a spectroscopically determined force field
(Elsevier, 1993-03)
A procedure is given by which parameters of nonbonded interactions in a molecular mechanics energy function can be optimized for maximum compatibility with ab initio force fields and structures. The method is based on a ...
Assignment of torsion and low frequency bending vibrations of secondary chlorides
(Elsevier, 1973-10)
Far infrared and Raman spectra of 2-chloropropane, 2-chlorobutane and dl- and meso-2,4-dichloropentane have been analyzed in order to assign the torsional force constants in the valence force field for secondary chlorides. ...
Vibrational spectra in the C---H stretching region and the structure of the polymethylene chain
(Elsevier, 1978)
The C---H stretching regions of both the Raman and i.r. spectra of the extended polymethylene chain have broad secondary maxima. In the case of the Raman spectrum, line shapes are dependent on the environment of the chain, ...
Extended conformations of polypeptides and proteins in urea and guanidine hydrochloride
(Wiley Subscription Services, Inc., A Wiley Company, 1973-03)
By analyzing the effect of urea and guanidine hydrochloride on the circular dichroism of many polypeptides and proteins, it is concluded that under conditions of high concentration of the perturbant and at low temperatures ...
The iron electron-nuclear double resonance (ENDOR) of two-iron ferredoxins from spinach, parsley, pig adrenal cortex and Pseudomonas putida
(Elsevier, 1971-11-02)
The iron electron-nuclear double resonance (ENDOR) spectra of reduced iron-sulfur proteins (two-iron ferredoxins) from spinach, parsley, pig adrenal cortex and Pseudomonas putida unequivocally show two inequivalent iron ...
Vibrational studies of the disulfied group in proteins part IV. SS and CS stretch frequencies of known peptide and protein disulfide bridges
(Elsevier, 1991-10-01)
We have used our previously derived ab initio disulfide and empirical polypeptide force field to calculate SS and CS stretch frequencies of disulfide bridges in a cyclic octapeptide and six proteins of known structure. ...
Resonant energy transfer in electron-driven proton pumps
(WILEY-VCH Verlag, 2008-01)
We examine proton and electron transport in living cell membranes and show that the Coulomb interaction leads to a resonant energy transfer, from the electrons to protons during their simultaneous tunnelings, which allows ...