Das, K. K. ; Bhattacharyya, S. P. (1988) Cation-inert gas atom interactions: a look into charge transfer energetics Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (6). pp. 509-517. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/j_archive/chemsci/100/4/509-5...
Related URL: http://dx.doi.org/10.1007/BF02841125
Abstract
The charge-transfer energetics of interactions in a series of closed-shell cation-inter gas pairs is studied by using a model based on the electronegativity equalization principle. These results are compared with those obtained from SCF calculations carried out at the STO-3G level. A model interaction potential is tested for these systems. The possible effect of an additional electrostatic factor in the charge transfer process is investigated.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Ion-atom Interactions; Charge Transfer in Hard-hard Interactions; Semi-empirical Ion-noble Gas Atom Potential; SCF Calculations on Cation-inert Gas Systems |
| ID Code: | 81941 |
| Deposited On: | 08 Feb 2012 15:32 |
| Last Modified: | 18 May 2016 23:19 |
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