Theoretical prediction of the ionization energies of the C4 H7 radicals: 1-Methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals

Journal of Chemical Physics

Volumn 127, Issue 15, 2007, Pages

  Lau, Kai Chung ^a   Zheng, Wenxu ^a   Wong, Ning Bew ^a   Li, Wai Kee ^b  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

FREE RADICALS; VIBRATIONAL SPECTRA; WAVE FUNCTIONS;

COMPLETE BASIS SET (CBS); ELECTRONIC CORRECTION; ENERGY CORRECTION; VIBRATIONAL ENERGY;

IONIZATION POTENTIAL;

CARBON; CATION; FREE RADICAL; HYDROCARBON; HYDROGEN; ION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; LIGHT; METHODOLOGY; NORMAL DISTRIBUTION; PHYSICAL CHEMISTRY; THERMODYNAMICS;

CARBON; CATIONS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ELECTRONS; FREE RADICALS; HYDROCARBONS; HYDROGEN; IONS; LIGHT; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NORMAL DISTRIBUTION; THERMODYNAMICS;

EID: 38449114842     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2774972     Document Type: Article

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