Structure and stability of water chains (H2O)n , n = 5-20

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DC Field	Value	Language
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.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.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.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
Appears in Collections:	Research Articles

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