Balasubramanian, R. ; Ramakrishnan, C. (1972) Refinement of the function for the evaluation of the N-H···O hydrogen bond potential energy Proceedings of the Indian Academy of Sciences, Section A, 76 (1). pp. 21-26. ISSN 0370-0089
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Official URL: http://www.ias.ac.in/j_archive/proca/76/1/21-26/vi...
Related URL: http://dx.doi.org/10.1007/BF03048333
Abstract
The parameters of the hydrogen bond potential energy function proposed earlier have been refined using the increased data available on N-H···O hydrogen bonds. The full-matrix least-square refinement procedure has been used and the discrepancy index has dropped down to a final value of 0.176. A linear interpolation has been proposed for the border regions where the hydrogen bonds are weak and the results are discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| ID Code: | 41047 |
| Deposited On: | 26 May 2011 07:45 |
| Last Modified: | 17 May 2016 22:54 |
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