Chattaraj, P. K. ; Maiti, B. (2004) Regioselectivity in the chemical reactions between molecules and protons: a quantum fluid density functional study Journal of Physical Chemistry A, 108 (4). pp. 658-664. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp035156a
Related URL: http://dx.doi.org/10.1021/jp035156a
Abstract
Proton-molecule collisions mimicking various chemical reactions are studied within a quantum fluid density functional framework. The regioselectivity of a proton attack is clearly delineated through the dynamic hardness and polarizability profiles. A time-dependent version of the HSAB principle is found to be operative.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 6223 |
| Deposited On: | 20 Oct 2010 11:32 |
| Last Modified: | 11 May 2012 11:19 |
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