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ArI2(X)→Ar+I2(B) photodissociation: Comparison between linear and T-shaped isomers dynamics

AuthorsRoncero, Octavio ; Lepetit, Bruno; Beswick J. Alberto; Halberstadt, Nadine; Buchachenko, Alexei A.
Issue Date2001
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 115: 6961- 6973 (2001)
AbstractAn attempt was made to compute the spectra and product state distributions on semiempirical and ab initio electronic potential energy surfaces for both linear and T-shaped ArI2(X) isomers. It was shown that whereas the T-shaped isomer dynamics is dominated by resonances, dissociation of the linear isomer involves competition between a fast direct process and slower vibrational predissociation of near-linear resonances.
Identifiersdoi: 10.1063/1.1401807
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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