Potential energy surfaces and dynamical behavior of two rigidly linked bichromophoric molecules studied by CASSCF computations and Ab initio classical trajectory simulations

Journal of Physical Chemistry A

Volumn 106, Issue 17, 2002, Pages 4358-4367

  Jolibois, Franck ^a   Bearpark, Michael J ^b   Robb, Michael A ^b  

^a CNRS   (France)

^b KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHROMOPHORES; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; POTENTIAL ENERGY;

AB INITIO CLASSICAL TRAJECTORY SIMULATION; BICHROMOPHORIC MOLECULES; INTRAMOLECULAR ELECTRONIC ENERGY TRANSFER; POTENTIAL ENERGY SURFACES;

MOLECULAR DYNAMICS;

EID: 0037007794     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp015570f     Document Type: Article

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