CASCSF study on the photochemical transposition reactions of pyrazines

Journal of Physical Chemistry A

Volumn 110, Issue 30, 2006, Pages 9420-9428

  Su, Ming Der ^a  

^a NATIONAL CHIAYI UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ISOMERIZATION; MOLECULAR DYNAMICS; PHOTOCHEMICAL REACTIONS; PHYSICAL CHEMISTRY; POTENTIAL ENERGY;

PHOTOISOMERIZATION; PHOTOTRANSPOSITION; PYRAZINES; RADIATIONLESS DECAY;

ORGANIC COMPOUNDS;

EID: 33748286825     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060995t     Document Type: Article

References (35)

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31. The C-C, C-N, and C-H bonds in 2-methylpyrazine (3) are fixed to be 1.35, 1.35, and 1.09 Å, respectively. Also, the ∠CCC, ∠CNC, ∠HCC, and ∠CCN bond angles are fixed to be 120°, 120°, 120°, and 120°, respectively.
32. 0 species.
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35. Su, M.-D., to be submitted for publication.