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Volumn 53, Issue 3, 2011, Pages 909-921

Analysis of molecular electronic structure of imidazole- and benzimidazole-based inhibitors: A simple recipe for qualitative estimation of chemical hardness

(2) Kovačević, Nataša a Kokalj, Anton a

a JO EF STEFAN INSTITUTE (Slovenia)

Author keywords

A. Copper; B. Modelling studies; C. Acid inhibition; C. Neutral inhibition

Indexed keywords

A. COPPER; BELONG TO; BENZIMIDAZOLES; C. ACID INHIBITION; C. NEUTRAL INHIBITION; CHEMICAL HARDNESS; DENSITY FUNCTIONAL THEORY CALCULATIONS; MODELLING STUDIES; PHENYL SUBSTITUENTS; QUALITATIVE ESTIMATION; SOLVATION FREE ENERGIES;

CHEMICAL ANALYSIS; CHEMICAL BONDS; COPPER; ELECTRONEGATIVITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HARDNESS; MOLECULAR ELECTRONICS;

DENSITY FUNCTIONAL THEORY;

EID: 78751569899 PISSN: 0010938X EISSN: None Source Type: Journal
DOI: 10.1016/j.corsci.2010.11.016 Document Type: Article

Times cited : (277)

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