Isomers and isomerization reactions of four nitro derivatives of methane

Journal of Computational Chemistry

Volumn 32, Issue 8, 2011, Pages 1760-1768

  Zhang, Chaoyang ^a,b   Wang, Xiaolin ^b   Zhou, Mingfei ^a  

^a FUDAN UNIVERSITY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

ab initio molecular orbital method; density functional theory; isomerization; molecular stability; nitro derivatives of methane

Indexed keywords

DENSITY FUNCTIONAL THEORY; ISOMERIZATION; METHANE; MOLECULAR ORBITALS; NITROGEN OXIDES; ORBITAL CALCULATIONS; PLANTS (BOTANY);

AB INITIO MOLECULAR ORBITAL METHODS; CARBON ATOMS; INTRAMOLECULAR HYDROGEN TRANSFER; ISOMERIZATION REACTION; MOLECULAR STABILITY; NITRO GROUP; TRANSITION STATE;

ISOMERS;

EID: 79953738609     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21762     Document Type: Article

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