Theoretical studies of proton-transfer reactions of 2-hydroxypyridine- (H2O)n (n = 0-2) in the ground and excited states

Journal of Physical Chemistry A

Volumn 109, Issue 17, 2005, Pages 3983-3990

  Li, Quan Song ^a   Fang, Wei Hai ^a   Yu, Jian Guo ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; ELECTRONIC STRUCTURE; ENZYMES; HYDROGEN BONDS; IONIZATION; MONOMERS; POTENTIAL ENERGY;

EXCITED STATES; GROUND STATES; IONIZATION SPECTRA; PROTON-TRANSFER REACTIONS;

WATER;

2 HYDROXYPYRIDINE; 2-HYDROXYPYRIDINE; PROTON; PYRIDONE DERIVATIVE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; ENERGY TRANSFER; LIGHT; METHODOLOGY; PHOTOCHEMISTRY; PHYSICAL CHEMISTRY; TEMPERATURE;

CHEMISTRY, PHYSICAL; ENERGY TRANSFER; LIGHT; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; PROTONS; PYRIDONES; SOFTWARE; TEMPERATURE; WATER;

EID: 18844438632     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044498t     Document Type: Article

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