Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
Classical trajectory calculations on the methyl isocyanide molecule at energies above 25,000 cm-1 confirm that the rate of reaction to methyl cyanide is bimodal, with a very fast rate before 0.1 ps, and a slower rate from then on. We conclude that before 0.1 ps, the reacting molecules are unrandomized, but thereafter, they are essentially randomized, with decay to products being, to a good approximation, pure exponential. We estimate that the time for randomization is roughly 0.3 ps at energies near the reaction threshold of 13,500 cm-1. © 1994 John Wiley & Sons, Inc.
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