Electrophilicity index within a conceptual DFT framework
- 10 February 2009
- journal article
- review article
- Published by Royal Society of Chemistry (RSC) in Annual Reports Section "C" (Physical Chemistry)
- Vol. 105, 13-39
- https://doi.org/10.1039/b802832j
Abstract
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.Keywords
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