liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Topology versus temperature: Thermal behavior of H+(H2O)(8) and H+(H2O)(16)
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA.
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA.
Linköping University, Department of Physics, Chemistry and Biology, Chemistry. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-5341-2637
2000 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 112, no 2, 710-716 p.Article in journal (Refereed) Published
Abstract [en]

Monte Carlo simulations based on the OSS2 potential indicate the structure of the small protonated water clusters, H + (H 2 O) 8 and H + (H 2 O) 16 , is far from what could be expected for the proton solvated in bulk water. Near room temperature we find H + (H 2 O) n , n=8,16 clusters have a treelike topology with chains of waters emanating from a central H 3 O + moiety. Only at lower temperatures do cycles and cages of water appear. These findings bear upon experiments in a variety of disciplines.

Place, publisher, year, edition, pages
2000. Vol. 112, no 2, 710-716 p.
National Category
Water Engineering
URN: urn:nbn:se:liu:diva-115216DOI: 10.1063/1.480603ISI: 000084507000024OAI: diva2:794262
Available from: 2015-03-10 Created: 2015-03-10 Last updated: 2015-03-26

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Ojamäe, Lars
By organisation
ChemistryThe Institute of Technology
In the same journal
Journal of Chemical Physics
Water Engineering

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 30 hits
ReferencesLink to record
Permanent link

Direct link