Guru Row, T. N. ; Gadre, Shridhar R. (1985) A novel approach for the study of intermolecular interactions: molecular deformation densities Proceedings of the Indian Academy of Sciences - Chemical Sciences, 95 (4). L437-L438. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/j_archive/chemsci/95/5/437-43...
Related URL: http://dx.doi.org/10.1007/BF02867358
Abstract
A new method to study intermolecular interactions via direct electron density measurements has been proposed. This approach involves the sum of constituent molecular electron densities as a reference rather than the usual sum of spherical atom densities for the evaluation of deformation densities. One may thus be able to focus specifically on the regions involving dominant intermolecular interactions such as hydrogen bonding, charge transfer, etc.
Item Type: | Article |
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Source: | Copyright of this article belongs to Indian Academy of Sciences. |
Keywords: | Electron Density; Intermolecular Interactions |
ID Code: | 10551 |
Deposited On: | 04 Nov 2010 05:09 |
Last Modified: | 16 May 2016 20:09 |
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