Calculation of thermochemical properties of conjugated radicals

International Journal of Quantum Chemistry

Volumn 96, Issue 2, 2004, Pages 123-135

  Vysotsky, Y B ^a   Bryantsev, V S ^a  

^a DONBAS NATIONAL ACADEMY OF CIVIL ENGINEERING AND ARCHITECTURE   (Ukraine)

Author keywords

Aromatic annelation model; Heat of formation of conjugated hydrocarbon radicals; Perturbation theory; Substituent effects; Superposition additive approach

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; HAMILTONIANS; HYDROCARBONS; MOLECULES; PERTURBATION TECHNIQUES; SUBSTITUTION REACTIONS; THERMODYNAMIC PROPERTIES;

CONJUGATED RADICALS; HARTREE-FOCK METHOD; THERMOCHEMICAL PROPERTIES;

FREE RADICALS;

EID: 0345764895     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10545     Document Type: Article

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