Quantum dynamics study of the excited-state double-proton transfer in 2,2′-bipyridyl-3,3′-diol

ChemPhysChem

Volumn 5, Issue 9, 2004, Pages 1372-1378

  Gelabert, Ricard ^a   Moreno, Miquel ^a   Lluch, José M ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Excited states; Femtochemistry; Proton transfer; Quantum dynamics; Reaction mechanisms

Indexed keywords

DENSITY FUNCTIONAL THEORY; DYNAMICS; EXCITED STATES; PROTON TRANSFER;

DOUBLE PROTON TRANSFER; EXCITED ELECTRONIC STATE; EXCITED STATE DOUBLE PROTON TRANSFERS; FEMTOCHEMISTRY; QUANTUM DYNAMICS; QUANTUM DYNAMICS SIMULATION; REACTION MECHANISM; THREE-DIMENSIONAL MODEL;

QUANTUM THEORY;

2,2' BIPYRIDINE DERIVATIVE; 2,2' BIPYRIDYL 3,3' DIOL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DYNAMICS; ENERGY; MODEL; PHOTOREACTIVITY; PROTON TRANSPORT; QUALITATIVE ANALYSIS; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STRUCTURE ANALYSIS; VIBRATION;

EID: 5044227823     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400078     Document Type: Article

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