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Density functional molecular dynamics

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1 results in Keywords: Density functional molecular dynamics

Theoretical and Computational Chemistry

Li-ion Conductive Li3PO4-Li3BO3-Li2SO4 Mixture: Prevision through Density Functional Molecular Dynamics and Machine Learning

Masato Sumita, Ryo Tamura, Kenji Homma, Chioko Kaneta, Koji Tsuda

Version 1 posted 27 November 2018

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