Constrained Molecular Dynamic Simulation of the Potential Mean Force of Lithium Bromide Ion Pairs in Acetonitrile

Constrained Molecular Dynamic Simulation of the Potential Mean Force of Lithium Bromide Ion Pairs in Acetonitrile

Molecular dynamic simulations of Li<sup>+</sup>, and Br<sup>−</sup> ions in acetonitrile were carried out. The simulated structural properties were compared to experimental data. The solvent potentials of Li<sup>+</sup>-Br<sup>−</sup>, Li<sup>+&l...

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Bibliographic Details
Main Author:	Reinhardt Pinzón
Format:	Article
Language:	English
Published:	MDPI AG 2021-08-01
Series:	Atoms
Subjects:	constrained molecular dynamics simulation mean force potentials acetonitrile ions pair association-dissociation process
Online Access:	https://www.mdpi.com/2218-2004/9/3/57

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