On the use of fractional charges for computing Fukui functions-Reference-Cited by-同舟云学术

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On the use of fractional charges for computing Fukui functions

Published:2008-09 Issue:10-15 Volume:34 Page:931-936
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Fitzgerald George¹

Affiliation:

1. a Accelrys Inc. , San Diego, CA, USA

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927020802073065

Reference32 articles.

1. Density functional approach to the frontier-electron theory of chemical reactivity

2. Absolute hardness: companion parameter to absolute electronegativity

3. Variational method for determining the Fukui function and chemical hardness of an electronic system

4. Local Softness as a Regioselectivity Indicator in [4+2] Cycloaddition Reactions

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