Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
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https://figshare.com/articles/dataset/Ab_initio_Molecular_Dynamics_Investigations_of_the_Speciation_and_Reactivity_of_Deep_Eutectic_Electrolytes_in_Aluminum_Batteries/22794365
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资源简介：
A trajectory file containing one of the ab initio molecular dynamics simulations that underlies the publication "Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries" D. Carrasco-Busturia, S. Lysgaard, P. Jankowski, T. Vegge, A. Bhowmik, J. M. García-Lastra, ChemSusChem 2021, 14, 2034. https://doi.org/10.1002/cssc.202100163 Requirements: Atomic Simulation Environment (ASE)
创建时间：
2023-05-11
