Geometry and torsional energies of a C-C-protonated n-alkane

Journal of Chemical Physics

Volumn 119, Issue 14, 2003, Pages 7148-7155

  Li, Qingbin ^a   Hunter, Ken C ^a   Seitz, Christa ^a   East, Allan L L ^a  

^a UNIVERSITY OF REGINA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; PARAFFINS; POSITIVE IONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PROTONS;

CORE VALENCE CORRELATION; DENSITY FUNCTIONAL METHOD; MOLECULAR ORBITAL BASED METHOD; POTENTIAL ENERGY SURFACE; TORSIONAL CONFORMER;

ELECTRON ENERGY LEVELS;

EID: 0142149118     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1607959     Document Type: Article

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