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Volumn 135, Issue 8, 2011, Pages

Unimolecular dissociation of anthracene and acridine cations: The importance of isomerization barriers for the C2H2 loss and HCN loss channels

Author keywords

[No Author keywords available]

Indexed keywords

ACENAPHTHYLENE; BIPHENYLENE; COLLISION INDUCED DISSOCIATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISSOCIATION CHANNELS; DISSOCIATION ENERGIES; FRAGMENTATION PATHWAYS; ISOMERIZATION BARRIERS; LOW-ACTIVATION ENERGY; MASS SPECTRA; MULTI-STEP; PROTONATED; REACTION PATHWAYS; SUBSTANTIAL ENERGY; UNIMOLECULAR DISSOCIATION;

EID: 80052403970     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3626792     Document Type: Article
Times cited : (26)

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    • See supplementary material at http://dx.doi.org/10.1063/1.3626792 E-JCPSA6-135-043132 for the cartesian coordinates of the optimized molecular structures, calculated at the B3LYP/6-311G(2d,p) level of theory, with their zero point energy corrected energies.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.