Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory

Chattaraj, P. K. (2001) Chemical reactivity and selectivity: local HSAB principle versus frontier orbital theory The Journal of Physical Chemistry A, 105 (2). pp. 511-513. ISSN 1089-5639

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp003786w

Related URL: http://dx.doi.org/10.1021/jp003786w

Abstract

It has been argued that the maximum Fukui function site is the best for the frontier-controlled soft-soft reactions whereas for the charge-controlled hard-hard interactions the preferred site is associated with the maximum net charge and not necessarily the minimum Fukui function.

Item Type:Article
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Last Modified:24 Nov 2011 08:38

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