Photophysics of the π,π and n,π states of thymine: ms-caspt2 minimum-energy paths and casscf on-the-fly dynamics

Journal of Physical Chemistry A

Volumn 113, Issue 38, 2009, Pages 10211-10218

  Asturiol, David ^a   Lasorne, Benjamin ^b,c   Robb, Michael A ^c   Blancafort, Lluís ^a  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITÉ DE MONTPELLIER   (France)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CAS-SCF; CONICAL INTERSECTION; DECAY COMPONENTS; DECAY RATE; FRANCK-CONDON; INDIRECT PATHS; MINIMUM ENERGY PATHS; ON-THE-FLY; PHOTOPHYSICS; PICOSECONDS; SUBPICOSECOND; SURFACE HOPPING;

DYNAMICS; GROUND STATE;

DECAY (ORGANIC);

THYMINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PHOTOCHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY;

COMPUTER SIMULATION; MODELS, CHEMICAL; PHOTOCHEMISTRY; QUANTUM THEORY; SURFACE PROPERTIES; THYMINE;

EID: 70349263374     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905303g     Document Type: Article

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