Topological electronegativity index and its application - I. Ionization potentials of alkyl groups and alkyl halides

QSAR and Combinatorial Science

Volumn 26, Issue 9, 2007, Pages 955-962

  Cao, Chenzhong ^a   Luo, Jinhua ^a  

^a HUNAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Alkyl group; Alkyl halide; Bond adjacency matrix; Ionization potential; Topological electronegativity index

Indexed keywords

ATOMS; CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; IONIZATION POTENTIAL; TOPOLOGY;

ADJACENCY MATRIX; ALKYL GROUPS; ALKYLHALIDES; BOND ADJACENCY MATRIX; DIAGONAL ELEMENTS; ITS APPLICATIONS; MOLECULAR GRAPHS; OFF-DIAGONAL ELEMENTS; RADICAL ATOMS; TOPOLOGICAL ELECTRONEGATIVITY INDEX;

ELECTRONEGATIVITY;

ALKYL GROUP; HALIDE;

AB INITIO CALCULATION; ALKYLATION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; COMBINATORIAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DISSOCIATION CONSTANT; IONIZATION; LANGMUIR BLODGETT FILM; MOLECULAR INTERACTION; PRIORITY JOURNAL; REACTION ANALYSIS;

EID: 34748835398     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200630138     Document Type: Article

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