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Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

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DataCite Commons2023-07-11 更新2025-04-10 收录
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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, <em>ChemSusChem</em> <strong>2021</strong>, <em>14</em>, 2034. https://doi.org/10.1002/cssc.202100163 <br> Requirements: Atomic Simulation Environment (ASE) <br> <br>

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2023-05-11
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