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Volumn 124, Issue 8, 2002, Pages 1728-1735
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Carbene formation in its lower singlet state from photoexcited 3H-diazirine or diazomethane. A combined CASPT2 and ab initio direct dynamics trajectory study
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Author keywords
[No Author keywords available]
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Indexed keywords
DEEXCITATION;
ACTIVATION ENERGY;
DISSOCIATION;
GROUND STATE;
ISOMERS;
POTENTIAL ENERGY;
METHANE;
3H DIAZIRINE;
AZIRINE DERIVATIVE;
DIAZOMETHANE;
UNCLASSIFIED DRUG;
AB INITIO CALCULATION;
ARTICLE;
CONFORMATIONAL TRANSITION;
DISSOCIATION;
ENERGY;
ISOMER;
MOLECULAR DYNAMICS;
PHOTOACTIVATION;
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EID: 0037181060
PISSN: 00027863
EISSN: None
Source Type: Journal
DOI: 10.1021/ja010750o Document Type: Article |
Times cited : (53)
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References (69)
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