Use of Local Softness for the Interpretation of Reaction Mechanisms

Use of Local Softness for the Interpretation of Reaction Mechanisms

Abstract: The application of reactivity parameters derived from density functional theory in a local sense, in particular the softness and Fukui function, to interpret and predict the mechanisms of various organic reactions has been discussed. Local softness is shown to be successful in determining...

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Bibliographic Details
Main Authors:	Minh Tho Nguyen, Asit K. Chandra
Format:	Article
Language:	English
Published:	MDPI AG 2002-04-01
Series:	International Journal of Molecular Sciences
Subjects:	Fukui Function Local Softness Reactivity Indices Reaction Mechanism 1 3- Dipolar Cycloadditions
Online Access:	http://www.mdpi.com/1422-0067/3/4/310/

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