A theoretical study of the reaction of P
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JesΓΊs R. Flores; Pilar Redondo
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Article
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1994
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Elsevier Science
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English
β 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