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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| Format: | Article |
| Language: | English |
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MDPI AG
2021-08-01
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| Series: | Atoms |
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| Online Access: | https://www.mdpi.com/2218-2004/9/3/57 |