Now showing items 11-20 of 46
Comprehensive force field for multiply-chlorinated hydrocarbons
(Elsevier, 1990)
A force field is presented that has been optimized for chlorinated hyrocarbons containing isolated, vicinal, and geminal secondary chlorines. For carbon--chlorine stretch modes, 74 frequencies in 10 molecules are reproduced ...
Electromagnetic effects in the Surface Enhanced Raman Scattering from a molecule at a liquid Hg surface
(Elsevier, 1981-09-02)
In a previous publication the image enhancement effect and the enhanced radiation due to near field excitation of surface roughness were calculated for a finite-size molecule above a metal described by a nonlocal dielectric ...
Infrared spectra of high polymers : Part IX. Polyethylene terephthalate
(Elsevier, 1959)
Infrared spectra of polyethylene terephthalate and three of its deuterated analogs have been obtained in the region of 70 to 3600 cm-1, polarized spectra having been obtained down to 330 cm-1. On the basis of analysis of ...
Vibrational force field and normal mode analysis of N,N-dimethylacetamide
(Elsevier, 1989)
A simple general valence force field has been refined for N,N-dimethylacetamide which includes both in-plane and out-of-plane modes. This force field gives good agreement between observed and calculated frequencies for ...
Vibrational analysis of cyclo(-Ala--Ala) in two crystalline forms. Effect of structure on peptide group and CH modes
(Elsevier, 1988)
Cyclo(-Ala--Ala) has been found by X-ray diffraction to crystallize in two forms with different hydrogen bond patterns and strengths and different conformations of the C[alpha]H[alpha]C[beta]H3 group. We have done a ...
Instrumental improvements for rapid, detailed kinetic studies of oxygenase activity
(Elsevier, 1979-07-15)
The characteristics of an electronic differentiator that facilitates continuous monitoring of changes in the oxygen concentration measured by a polarographic oxygen electrode are described. In addition, some properties of ...
Surface enhanced raman spectroscopy of halide ions on colloidal silver: simulation of silver-halide ion spectra
(Elsevier, 1983-01-02)
The surface enhanced Raman spectra of halide ions adsorbed on colloidal silver surfaces can be explained by an interacting dipole model of a discrete adsorbate superlattice. Both (100) and (111) surfaces have been modeled, ...
Electromagnetic effects on a molecule at a metal surface : I. Effects of nonlocality and finite molecular size
(Elsevier, 1981-08-02)
The electromagnetic effects on a molecule near a metal surface are considered with the view to understanding the surface-enhanced-Raman-scattering (SERS) effect. The image enhancement effect is calculated including the ...
Vibrational analysis of 2,3-dichlorobutanes
(Elsevier, 1983)
Using intensity changes from liquid to solid for meso- and racemic-2,3-dichlorobutanes, and preliminary normal mode calculations based on a force field for secondary chlorides, we have been able to identify the bands ...
Polarized Raman spectra of oriented films of Α-helical poly( L -alanine) and its N -deuterated analogue
(John Wiley & Sons, Ltd., 1998-01)
Polarized Raman spectra were obtained on well oriented films of Α-helical poly( L -alanine) (Α-PLA) and its N -deuterated analogue in order to obtain definitive assignments of the E 2 -species modes. Such assignments ...