Valence-deformational vibrations of molecular systems in the condensed phase
β Scribed by V.M. Rozenbaum
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 373 KB
- Volume
- 165
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
## Abstract Using the path integral formalism or the FeynmanβHibbs approach, various expressions for the free energy of quantization for a molecular system in the condensed phase can be derived. These lead to alternative methods to directly compute quantization free energies from molecular dynamics
Lime-resolved emission OC single vlbrarional level lluorescen~ from large matrix-isolated molecules has been observed for the firs1 IIme. Using the strucrured emrssion speclra rrom S, azulenc we have studred tie demiled pathways and dynamics of vibrarional energy relaxalion. TemperaLure and man-~x m
A semiclassical surface-hopping propagator for problems involving nonadiabatic transitions is discussed. The propagator is employed in expressions for the probability of transitions between quantum states of molecules in condensed phases. This approach is implemented for the evaluation of the rate o