Dynamics of a barrierless reaction on a two-dimensional potential surface in solution
β Scribed by C.S. Poornimadevi; B. Bagchi
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 545 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
Molecular dynamics are computed for A + BC + AB + C m a rare gas solvent. Transition state theory is valid. For + 0.02 ps about the barrier, reaction dynamics are essentially the same as without solvent. Reactive trajectories are translatlonally special over = \* 0.02 ps, rotationally over = +0.5 ps
The authors extend the deduction of the equations satisfied by the force fields from inertial to rotating frames, when the curves of a certain family are known to be solutions for the equations of motion. Then Drimbii's equation is obtained as a consequence of this result. The works of Hadamard and