Structure and stability of water chains (H2O)n , n = 5-20
| dc.contributor.author | Sathyamurthy, N. | |
| dc.date.accessioned | 2013-04-30T13:54:15Z | |
| dc.date.available | 2013-04-30T13:54:15Z | |
| dc.date.issued | 2009 | |
| dc.description | Only IISERM authors are available in the record. | |
| dc.description.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. | en_US |
| dc.identifier.citation | Journal of Physical Chemistry A, 113 (16), pp. 3744-3749. | en_US |
| dc.identifier.uri | http://www.ncbi.nlm.nih.gov/pubmed/19143553 | en_US |
| dc.identifier.uri | https://pubs.acs.org/doi/10.1021/jp806793e | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | American Chemical Society | en_US |
| dc.subject | Atoms-in-molecules | en_US |
| dc.subject | Bond critical points | en_US |
| dc.subject | Helical chains | en_US |
| dc.subject | Equations of state | en_US |
| dc.subject | Hydrogen | en_US |
| dc.subject | Hydrogen bonds, Water analysis | en_US |
| dc.title | Structure and stability of water chains (H2O)n , n = 5-20 | en_US |
| dc.type | Article | en_US |