Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of water chains (H2O)n,n= 5−20† The Journal of Physical Chemistry A, 113 (16). pp. 3744-3749. ISSN 1089-5639
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp806793e
Related URL: http://dx.doi.org/10.1021/jp806793e
Abstract
The structure and stability of linear (helical) water chains (H2O)n, n = 5−20 as obtained from ab initio/DFT calculations are reported along with an atoms-in-molecules (AIM) analysis of hydrogen bond critical points and their characteristics. The resulting helical chain arrangement is one of the predominant motifs in different host environments; although they may not be the most stable, it is shown that these linear water chain clusters could exist in their own right.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 107686 |
| Deposited On: | 01 Dec 2017 12:29 |
| Last Modified: | 01 Dec 2017 12:29 |
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