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Reaction dynamics on bifurcating potential energy surfaces

✍ Scribed by Wayne A. Kraus; Andrew E. DePristo


Publisher
Springer
Year
1986
Tongue
English
Weight
644 KB
Volume
69
Category
Article
ISSN
1432-2234

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A theoretical study of the reaction of P
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Accurate ab initio computations have been carried out on the minima and saddle points involved in the dynamics of the reaction of P+ with water using a slightly modified version of G 1 and G2 theories (J. Chem. Phys. 94 ( 199 1) 43 1 S ). In addition, an approximate classical trajectory method and R