ISSN:
0538-8066
Keywords:
Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/kin.550260706
