Pal, Sourav ; Chandrakumar, K. R. S. (2000) Critical study of local reactivity descriptors for weak interactions: qualitative and quantitative analysis of adsorption of molecules in the zeolite lattice Journal of the American Chemical Society, 122 (17). pp. 4145-4153. ISSN 0002-7863
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Official URL: http://pubs.acs.org/doi/abs/10.1021/ja993617t
Related URL: http://dx.doi.org/10.1021/ja993617t
Abstract
In the work described in this paper we have studied the adsorption of gaseous molecules inside the zeolite lattice using recently developed different reactivity descriptors. In particular, we have used Fukui function-based descriptors and local hard-soft acid-base (HSAB) principle for a quantitative and qualitative analysis. This represents the first case in which local HSAB principle has been used for quantitative description of weak adsorption cases.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 25969 |
| Deposited On: | 04 Dec 2010 10:48 |
| Last Modified: | 05 Mar 2011 05:39 |
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