Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference48 articles.
1. Conceptual density functional theory;Geerlings;Chem. Rev.,2003
2. Atomic Fukui function and local softness ab initio;Balawender;J. Chem. Phys.,1998
3. Density functional approach to the frontier-electron theory of Chemical Reactivity;Parr;J. Am. Chem. Soc.,1984
4. Variational principles for describing chemical reactions: condensed reactivity indices;Ayers;J. Chem. Phys.,2002
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