Solvent Effect on Electronegativity, Hardness, Condensed Fukui Functions, and Softness, in a Large Series of Diatomic and Small Polyatomic Molecules: Use of the EFP Model-Reference-Cited by-同舟云学术

Solvent Effect on Electronegativity, Hardness, Condensed Fukui Functions, and Softness, in a Large Series of Diatomic and Small Polyatomic Molecules: Use of the EFP Model

Published:2001-11-17 Issue:49 Volume:105 Page:11102-11109
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Safi Bennasser¹,Balawender Robert¹,Geerlings Paul¹

Affiliation:

1. Eenheid Algemene Chemie (ALGC), Faculteit Wetenschappen, Vrije Universiteit Brussel, Pleinlaan 2, B-1050 Brussels, Belgium, and Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, PL-01-224 Warsaw, Poland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp012652v

Reference43 articles.

1. Electronegativity: The density functional viewpoint

2. Absolute hardness: companion parameter to absolute electronegativity

3. Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities

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