Methane elimination from n-pentane

International Journal of Quantum Chemistry

Volumn 109, Issue 2, 2009, Pages 196-201

  Tsyshevsky, Roman V ^a   Garifzianova, Guzel G ^a   Shamov, Alexander G ^a   Khrapkovskii, Grigorii M ^a  

^a KAZAN NATIONAL RESEARCH TECHNOLOGICAL UNIVERSITY   (Russian Federation)

Author keywords

B3LYP; n pentane; Vibration frequencies

Indexed keywords

METHANE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

B3LYP; BARRIERS TO INTERNAL ROTATIONS; BASIS SETS; GAS PHASE; N-PENTANE; QUANTUM CHEMICAL CALCULATIONS; VIBRATION FREQUENCIES;

PARAFFINS;

EID: 58149232248     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21786     Document Type: Article

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