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Classical and approximate quantum investigations of vibrational energy transfer in S-1 p-difluorobenzene

Abstract:

A simple model potential energy surface is constructed and used in both quasiclassical trajectory calculations and quantum vibrational close-coupling, infinite order sudden approximation calculations of collision-induced vibrational energy transfer from four vibrational states of S1 p-difluorobenzene. Classical and quantum state-to-state cross sections are compared for excitation of the two lowest energy vibrational states and collision with He or Ar. Qualitatively, the same trends are seen i...

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Publication status:
Published

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Publisher copy:
10.1063/1.473569

Authors


Jordan, MJT More by this author
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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
106
Issue:
13
Pages:
5439-5453
Publication date:
1997-04-01
DOI:
ISSN:
0021-9606
URN:
uuid:009dc6ba-700d-430b-9dfb-bc0fa3a2f0e3
Source identifiers:
52954
Local pid:
pubs:52954
Language:
English

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