Ab initio quantum chemical studies of reaction mechanism for triplet CH 2 with CN radical

Journal of Molecular Structure: THEOCHEM

Volumn 713, Issue 1-3, 2005, Pages 71-78

  Du, Benni ^a   Zhang, Weichao ^a   Feng, Changjun ^a   Zhou, Zhengyu ^b,c  

^a JIANGSU NORMAL UNIVERSITY   (China)

^b QUFU NORMAL UNIVERSITY   (China)

^c SHANDONG UNIVERSITY   (China)

Author keywords

Ab initio; CN radical; G2MP2 theory; Potential energy surface; Triplet CH 2

Indexed keywords

CARBON; CYANIDE; HYDROGEN;

AB INITIO CALCULATION; ARTICLE; DISSOCIATION; ISOMER; ISOMERIZATION; PHASE TRANSITION; REACTION ANALYSIS;

EID: 10644270005     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.09.032     Document Type: Article

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