Volltext-Downloads (blau) und Frontdoor-Views (grau)

Structure and thermodynamics of H3O+(H2O)8 clusters: A combined molecular dynamics and quantum mechanics approach

Export metadata

Additional Services

Share in Twitter Search Google Scholar Availability

Statistics

frontdoor_oas
Metadaten
Document Type:Article
Language:English
Author:Berhane Temelso, Thorsten Köddermann, Karl N. Kirschner, Katurah Klein, George C. Shields
Parent Title (English):Computational and Theoretical Chemistry
Volume:1021
Pagenumber:9
First Page:240
Last Page:248
ISSN:2210-271X
DOI:https://doi.org/10.1016/j.comptc.2013.07.039
Publisher:Elsevier
Date of first publication:2013/08/06
Tag:Force field optimization; Hydrogen bonding; Hydronium; MP2; Molecular dynamics; Solvation of protons
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Entry in this database:2021/05/18