Electrophilicity index within a conceptual DFT framework

Pratim Kumar Chattaraj; Santanab Giri

doi:10.1039/B802832J

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Annual Reports Section "C" (Physical Chemistry)

Issue 0, 2009

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Electrophilicity index within a conceptual DFT framework

Pratim Kumar Chattaraj and Santanab Giri

Annu. Rep. Prog. Chem., Sect. C: Phys. Chem., 2009, 105, 13-39

DOI: 10.1039/B802832J
First published on the web 10 Feb 2009

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Conceptual density functional theory provides a method for analyzing the chemical reactivity in terms of different global reactivity descriptors including electrophilicity and their local counterparts like philicity. These concepts’ definitions and various applications that demonstrate their interpretive power are discussed. Global and local electrophilicities are able to account for a wide variety of chemical phenomena.

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Annual Reports Section "C" (Physical Chemistry)

Electrophilicity index within a conceptual DFT framework

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