Excited-state non-adiabatic dynamics simulations of pyrrole

Molecular Physics

Volumn 107, Issue 8-12, 2009, Pages 845-854

  Vazdar, Mario ^a   Eckert Maksic, Mirjana ^a   Barbatti, Mario ^b   Lischka, Hans ^b  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Conical intersection; Non adiabatic dynamics; Photochemistry; Pyrrole

Indexed keywords

AROMATIC COMPOUNDS; ATOMS; GROUND STATE; KINETIC ENERGY; KINETICS; PHOTOCHEMICAL REACTIONS;

CONICAL INTERSECTION; DYNAMICS SIMULATION; ELECTRONIC GROUND STATE; LATTER MECHANISM; MULTI REFERENCE CONFIGURATION INTERACTIONS; NON-ADIABATIC DYNAMICS; PYRROLE; RING OPENING MECHANISM;

EXCITED STATES;

EID: 67650757327     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802665639     Document Type: Article

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