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Dynamics of molecular reactions in solids: Photodissociation of F2 in crystalline Ar

✍ Scribed by Alimi, R.; Gerber, R. B.; Apkarian, V. A.


Book ID
118018680
Publisher
American Institute of Physics
Year
1990
Tongue
English
Weight
911 KB
Volume
92
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


Quantum effects in molecular reaction dy
✍ R.B. Gerber; R. Alimi πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 368 KB

The photodissociation of a molecular HI impurity in a host Xe crystal is studied theoretically with focus on the role of quantum effects. The method used treats the H atom by timedependent wavepackets, the heavy atoms classically. Comparison is made with fully classical molecular dynamics simulation