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A quasiclassical trajectory study of bond specific chemistry in the reaction H+HOD→H2+OD, HD+OH

✍ Scribed by Kathleen Kudla; George C. Schatz

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
472 KB
Volume
193
Category
Article
ISSN
0009-2614

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✦ Synopsis

We present a quasiclassical trajectory study of H + HOD ( v,, ul, Y, ) with an emphasis on how the reaction cross section and the branching between OH and OD products varies with the initial vibrational state of HOD and with relative translational energy. Comparison of the results for initial states ( 100) and (00 1) with recent measurements by Zare and co-workers, and for the 4v,, overtone with recent measurements by Crim and co-workers indicates good qualitative agreement.

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