Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2007) Hydrogen bonding in protonated water clusters: an atoms-in-molecules perspective Journal of Physical Chemistry A, 111 (51). pp. 13287-13290. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp0775909
Related URL: http://dx.doi.org/10.1021/jp0775909
Abstract
This article highlights the results of a detailed study of hydrogen bonding in the first and the second solvation shells of Eigen (H3O+) and Zundel (H5O2+) cations solvated by water in a stepwise manner. It is evident from the results that an electron density analysis clearly distinguishes the first and the second solvation shell and helps in quantifying the strength of hydrogen bonding in these clusters.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Chemical Society. |
ID Code: | 43892 |
Deposited On: | 17 Jun 2011 12:38 |
Last Modified: | 17 Jun 2011 12:38 |
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