Molecular Dynamics Simulation of an Aqueous MgCl2 Solution. Structural Results
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چکیده
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namensnennung 4.0 Lizenz. Molecular Dynamics Simulation of an Aqueous MgCl2 Solution. Structural Results
منابع مشابه
Molecular Dynamics and X-Ray Diffraction Study of Aqueous Beryllium(II) Chloride Solutions
A structural investigation o f a 1.1 molal BeCl2 aqueous solution has been performed by a molecular dynamics simulation together with X-ray diffraction studies o f 1.1 and 5.3 molal BeCl2 aqueous solutions at pH = \. A central force model in combination with an improved intra molecular three-body potential was used for water. The ion-water and ion-ion potentials were derived from ab initio cal...
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