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Quasiclassical trajectory study of the n = 3 overtone state of benzene

Authors :
Da‐hong Lu
William L. Hase
Source :
Chemical Physics Letters. 142:187-190
Publication Year :
1987
Publisher :
Elsevier BV, 1987.

Abstract

A benzene fragment HC3/DC3 is used as a model for benzene in a quasiclassical trajectory study of the intramolecular decay of the n=3 overtone. The calculated linewidth (fwhm) for the CH overtone is ≈ 4 cm−1 and that for CD

Details

ISSN :
00092614
Volume :
142
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........6e251bd96ac7900b83efe6178ec1a1e8
Full Text :
https://doi.org/10.1016/0009-2614(87)80919-3