Solvents Controlling Energetics of Extractants in Liquid-Liquid Extractions: A Combined Simulation and Experiment Study on Molecular Solvents and Ionic Liquids.

Xiaoyu Wang

doi:10.5281/zenodo.7562902

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Published January 23, 2023 | Version v1

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Solvents Controlling Energetics of Extractants in Liquid-Liquid Extractions: A Combined Simulation and Experiment Study on Molecular Solvents and Ionic Liquids.

Xiaoyu Wang¹

1. Argonne National Laboratory

Sample scripts for MD simulations; Molecular structures with partial charge in MOL2 file format; AMBER-style force field paramter files; Gaussian inputs.

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Created: January 23, 2023
Modified: September 25, 2023

Solvents Controlling Energetics of Extractants in Liquid-Liquid Extractions: A Combined Simulation and Experiment Study on Molecular Solvents and Ionic Liquids.

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