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A Theoretical Study of the S + C 2 H Reaction: Potential Energy Surfaces and Dynamics

✍ Scribed by Flores, J. R.; Estévez, C. M.; Carballeira, L.; Juste, I. Pérez

Book ID
126877076
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
124 KB
Volume
105
Category
Article
ISSN
1089-5639

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A theoretical study of the reaction of P+ with water: Potential energy surfaces and reaction dynamics
✍ Jesús R. Flores; Pilar Redondo 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 658 KB

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