Using semiclassical models for electron broadening and line shift calculations of and dipole transitions
β Scribed by M.A. Gunderson; D.A. Haynes Jr.; D.P. Kilcrease
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 292 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0022-4073
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π SIMILAR VOLUMES
The line broadening and shift coefficients for CO-H 2 in the fundamental and first two overtone bands are modeled using semi-classical calculations based on the Robert-Bonamy formalism and two isotropic and anisotropic intermolecular potentials. These potentials involve electrostatic contributions a
A new microscopic model for the quantitative interpretation of solvent effects on molecular eiectrooic spectxa is proposed. The interaction ener& is caicuIated between the solute molecule and a camplet. shell of surrounding solvent nolecutes. The equilibrium configuration is obtained by a procedur