Dynamics starting at a conical intersection: Application to the photochemistry of pyrrole

Journal of Chemical Physics

Volumn 131, Issue 2, 2009, Pages

  Sellner, Bernhard ^a   Barbatti, Mario ^a   Lischka, Hans ^a,b  

^a UNIVERSITY OF VIENNA   (Austria)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS;

CONICAL INTERSECTION; DISSOCIATION PRODUCTS; ENERGY GRADIENTS; INITIAL CONDITIONS; MULTICONFIGURATION SELF-CONSISTENT FIELDS; REACTIVE TRAJECTORIES; RING OPENING PROCESS; STATISTICAL DISTRIBUTION;

AROMATIC COMPOUNDS;

PYRROLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PHOTOCHEMISTRY; QUANTUM THEORY;

COMPUTER SIMULATION; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; PYRROLES; QUANTUM THEORY;

EID: 67650721755     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3175799     Document Type: Article

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