Inertial effects on the intramolecular vibrational energy redistribution and nonadiabatic photoisomerization of a 2,3-substituted 1,3-butadiene: A quasi-classical CASSCF dynamics study

Journal of Physical Chemistry A

Volumn 112, Issue 50, 2008, Pages 13239-13243

  Montagnese, Tony ^a   Ogliaro, François ^a   Wilsey, Sarah ^b   Bearpark, Michael J ^b  

^a NANCY UNIVERSITÉ   (France)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BUTADIENE; EXCITED STATES;

CAS-SCF; CYCLIC PRODUCTS; DECAY MODES; INERTIAL EFFECTS; INTRAMOLECULAR VIBRATIONAL ENERGY REDISTRIBUTIONS; LIFE-TIMES; NONADIABATIC; QUALITATIVE AGREEMENTS; ROTAMERS; SINGLET EXCITED STATES; TRAJECTORY CALCULATIONS; TRANS ISOMERIZATION; ULTRA FASTS; VIBRATIONAL ENERGIES;

ISOMERIZATION;

EID: 58149152841     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp803751b     Document Type: Article

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