Molecular Dynamics of Water Clusters and Interaction Potentials

Autor:	Dmitrii N. Trubnikov, E. D. Belega
Rok vydání:	2019
Předmět:	Hydrogen bond General Mathematics 010102 general mathematics Liquid phase 01 natural sciences Potential energy 010305 fluids & plasmas Connection (mathematics) Molecular dynamics Interaction potential Chemical physics 0103 physical sciences Cluster (physics) Molecule 0101 mathematics Mathematics
Zdroj:	Doklady Mathematics. 99:83-86
ISSN:	1531-8362 1064-5624
Popis:	The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy of cluster molecules in different phases. The connection of the obtained distributions with the dynamics and structure of the hydrogen bonds’ net of the cluster is shown.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4d2298791c4bbb19ed6e2ae1654dbfbe https://doi.org/10.1134/s1064562419010265 Zobrazit plný text záznamu Plný text ve formátu PDF