Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole

Journal of Chemical Physics

Volumn 135, Issue 15, 2011, Pages

  Faraji, S ^a   Vazdar, M ^b   Reddy, V Sivaranjana ^a   Eckert Maksic, M ^b   Lischka, H ^c,d   Koppel H ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b RUDER BO KOVI INSTITUTE   (Croatia)

^c TEXAS TECH UNIVERSITY   (United States)

^d UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; GROUND STATE; PHOTODISSOCIATION; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO COMPUTATIONS; DIPOLE-ALLOWED TRANSITIONS; DISSOCIATION PROBABILITY; INTERNAL CONVERSIONS; STRETCHING MODES; THEORETICAL INVESTIGATIONS; VIBRATIONAL MODES; VIBRONIC COUPLING CONSTANTS;

QUANTUM THEORY;

PYRROLE DERIVATIVE;

ALGORITHM; ARTICLE; CHEMISTRY; ELECTRON; PHOTOLYSIS; QUANTUM THEORY;

ALGORITHMS; ELECTRONS; PHOTOLYSIS; PYRROLES; QUANTUM THEORY;

EID: 80155147806     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3651536     Document Type: Article

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