2026-10-15T10:21:33Z https://data.mendeley.com/oai

oai:data.mendeley.com/3wc5z72k4n.1 2012-02-01T12:00:00Z

CPC, Mendeley A molecular dynamics implementation of the 3D Mercedes-Benz water model Mendeley Data Abstract The three-dimensional Mercedes-Benz model was recently introduced to account for the structural and thermodynamic properties of water. It treats water molecules as point-like particles with four dangling bonds in tetrahedral coordination, representing H-bonds of water. Its conceptual simplicity renders the model attractive in studies where complex behaviors emerge from H-bond interactions in water, e.g., the hydrophobic effect. A molecular dynamics (MD) implementation of the model is non-triv... Title of program: CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water) Catalogue Id: AEKM_v1_0 Nature of problem Molecular dynamics simulation of a new geometric water model. Versions of this program held in the CPC repository in Mendeley Data AEKM_v1_0; CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water); 10.1016/j.cpc.2011.09.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Surface Science Condensed Matter Physics Computational Physics Hynninen, T. Dias, C.L. Mkrtchyan, A. Heinonen, V. Karttunen, M. Foster, A.S. Ala-Nissila, T. Dataset doi:10.17632/3wc5z72k4n.1 oai:data.mendeley.com/3wc5z72k4n.1 Computer Physics Communications Journal Licence https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/ https://data.mendeley.com/datasets/3wc5z72k4n 2012-02-01T12:00:00Z