Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Electrophilicity-based charge transfer descriptor The Journal of Physical Chemistry A, 111 (7). pp. 1358-1361. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp0649549
Related URL: http://dx.doi.org/10.1021/jp0649549
Abstract
In line with the charge transfer ( ΔNmax = −μ/η) proposed by Parr et al. (Parr, R. G.; Szentpaly, L. V.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922), we propose an electrophilicity-based charge transfer (ECT) descriptor in this paper and validate it through the interaction between a series of chlorophenols and DNA bases. Application of ECT can be extended to the interaction of any toxin with the biosystem.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 71180 |
| Deposited On: | 24 Nov 2011 09:20 |
| Last Modified: | 24 Nov 2011 09:20 |
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