Ab initio quantum dynamical study of photoinduced ring opening in furan

Journal of Chemical Physics

Volumn 135, Issue 16, 2011, Pages

  Gromov, E V ^a,b   Leveque C ^c,d   Gatti, F ^e   Burghardt, I ^f   Koppel H ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b IRKUTSK STATE UNIVERSITY   (Russian Federation)

^c SORBONNE UNIVERSITÉ   (France)

^d Universit Pierre et Marie Curie Paris 6   (France)

^e UNIVERSITÉ DE MONTPELLIER   (France)

^f GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO COMPUTATIONS; CONICAL INTERSECTION; COUPLED-CLUSTER METHODS; DOUBLE EXCITATIONS; EXCITED SINGLET STATE; IN-PLANE MOTION; MOLECULAR CONFIGURATIONS; NON-ADIABATIC; NON-ADIABATIC COUPLING; OUT-OF-PLANE BENDING; OXYGEN ATOM; PHOTOINDUCED RING OPENING; PHOTOREACTIONS; POPULATION TRANSFER; RING OPENING; RYDBERG; WAVE PACKET PROPAGATION; WAVE-PACKET MOTION;

MECHANICS; ORGANIC POLLUTANTS; QUANTUM CHEMISTRY;

AROMATIC COMPOUNDS;

FURAN; FURAN DERIVATIVE;

ARTICLE; CHEMISTRY; CYCLIZATION; PHOTOCHEMISTRY; QUANTUM THEORY;

CYCLIZATION; FURANS; PHOTOCHEMICAL PROCESSES; QUANTUM THEORY;

EID: 80555145043     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3653792     Document Type: Article

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