Now showing items 101-110 of 119
Conformers of trans-N-methylacetamide : Ab initio study of geometries and vibrational spectra
(Elsevier, 1991-01)
Energies and geometries have been obtained, at the 4-31G* level, for the four stable conformers of trans-N-methylacetamide that result from conformational isomerism of the CH3 groups. Ab initio force fields were obtained ...
Charge-density domains in photoexcited quantum-well structures
(Elsevier, 1990-04-01)
We present theoretical and experimental results on the dielectric response of an electron-hole plasma confined to a quantum-well. Hartree calculations reveal large nonlinearities in the screening properties which, when ...
Multifrequency EPR investigations into the origin of the S2-state signal at g = 4 of the O2-evolving complex
(Elsevier, 1992-01-30)
The low-temperature S2-state EPR signal at g = 4 from the oxygen-evolving complex (OEC) of spinach Photosystem-II-enriched membranes is examined at three frequencies, 4 GHz (S-band), 9 GHz (X-band) and 16 GHz (P-band). ...
The two-iron ferredoxins in spinach, parsley, pig adrenal cortex, Azotobacter vinelandii, and Clostridium pasteurianum: Studies by magnetic field Mossbauer spectroscopy
(Elsevier, 1971-11-02)
The two-iron ferredoxins from spinach, parsley, Azotobacter vinelandii, Clostridium pasteurianum and the pig adrenal cortex were investigated by Mossbauer spectroscopy at temperatures from 4 to 256[deg]K and in magnetic ...
Force fields for nitriles
(Elsevier, 1968-11)
A valence force field for nitriles based on the force field obtained for hydrocarbons is found to give very good agreement with the observed bands for several mono- and di-nitrile molecules. The average deviation between ...
New out-of-plane angle and bond angle internal coordinates and related potential energy functions for molecular mechanics and dynamics simulations
(John Wiley & Sons, Inc., 1999-07-30)
With currently used definitions of out-of-plane angle and bond angle internal coordinates, Cartesian derivatives have singularities, at ±Π/2 in the former case and Π in the latter. If either of these occur during molecular ...
Comment on enhanced Raman scattering from adsorbates on semiconductor surfaces
(Elsevier, 1984-11-02)
A recently published model of surface enhanced Raman scattering from adsorbed molecules on semiconductor surfaces is compared to our experimental results for amorphous carbon on PbTe. The model fails to account for the ...
A force field for secondary chlorides
(Elsevier, 1967-08)
A force field has been derived for monochloro- and 2,4-dichloro-hydrocarbons. The Snyder-Schachtschneider force field for hydrocarbons was used as a starting point, the constants associated with the secondary chlorine being ...
Tetrahedral approximation in normal coordinate calculations of high polymers
(Elsevier, 1965-06)
The crystal structure of poly(bisphenol-A carbonate)
(Interscience Publishers, Inc.Wiley Periodiocals, Inc., 1962-10)
No Abstract.