Theoretical characterization of photoisomerization channels of dimethylpyridines on the singlet and triplet potential energy surfaces

Chemistry - A European Journal

Volumn 7, Issue 9, 2001, Pages 1927-1935

  Cao, Zexing ^a   Zhang, Qianer ^a   Peyerimhoff, Sigrid D ^b  

^a XIAMEN UNIVERSITY   (China)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

Ab initio calculations; Dimethylpyridine; Isomerization; Photochemistry; Photoisomerization

Indexed keywords

AROMATIZATION; GEOMETRY; ISOMERIZATION; PHOTOCHEMICAL REACTIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

PHOTOEXCITATIONS;

ORGANIC COMPOUNDS;

2,4 DIMETHYLPYRIDINE; 3,5 DIMETHYLPYRIDINE; AZAPREFULVENE; DIMETHYLPYRIDINE DERIVATIVE; FULVENE; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL INTERACTION; DENSITY; ENERGY; EXCITATION; ISOMER; ISOMERISM; PHOTOCHEMISTRY; VIBRATION;

EID: 0035805239     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010504)7:9<1927::AID-CHEM1927>3.0.CO;2-P     Document Type: Article

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