Bond fukui indices: Comparison of frozen molecular orbital and finite differences through mulliken populations
Author:
Affiliation:
1. Department of Inorganic and Physical Chemistry; Ghent University; Krijgslaan 281 (S3); 9000; Gent; Belgium
2. Departamento de Química; Universidad Autónoma Metropolitana-Iztapalapa; San Rafael Atlixco 186; 09340; México; DF; México
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23405/fullpdf
Reference47 articles.
1. Conceptual Density Functional Theory
2. Perturbative perspectives on the chemical reaction prediction problem
3. Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory
4. Density functional approach to the frontier-electron theory of chemical reactivity
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