Now showing items 11-14 of 14
Centrifugal Distortions in Linear Triatomic Molecules: Application of an ab Initio Approach to HCP
(Elsevier, 1993-12)
Our previously outlined method (J. Mol. Struct. THEOCHEM99, 265-270, 1989) for employing analytic quantum chemical gradients to calculate the geometries, energies, and quartic spectroscopic constants for centrifugally ...
Vibrational studies of the disulfide group in proteins. VII. Normal mode analysis of the Raman spectra of erabutoxin, γ‐II crystallin and immunoglobulin
(John Wiley & Sons, Ltd., 1992-10)
Normal mode calculations have been made on the known structures of disulfide bridges in erabutoxin b, a form of γ‐II crystallin, and fragments (Fab, variable‐domain of Bence‐Jones proteins) of immunoglobulins. Previously ...
Fermi-liquid-type spectral function and angle resolved photoelectron spectra of the Ti-3dz2-band of TiTe2
(Elsevier, 1994-05-06)
Angle and temperature dependent photoelectron spectra with high energy and momentum resolution ([Delta]E = 300meV, [Delta][theta]Eb eV) of the quasi-two-dimensional, metallic layer compound TiTe2 along the direction . The ...
Monte Carlo analysis of the backscattering of radiation from a sphere to a plane
(Elsevier, 1990-02)
A Monte Carlo method is described for computing the backscattering of radiation from a sphere situated above an emitting plane. Numerical results are given and compared with analytic bounds for this problem which were ...