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Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives.

Dmitry Tolmachev,Natalia Lukasheva,Ruslan Ramazanov,Victor Nazarychev,Natalia Borzdun,Igor Volgin,Maria Andreeva,Artyom Glova,Sofia Melnikova,Alexey Dobrovskiy,Steven A. Silber,Sergey Larin,Rafael Maglia de Souza,Mauro Carlos Costa Ribeiro,Sergey Lyulin,Mikko Karttunen

International Journal of Molecular Sciences（2022）

引用 60|浏览24
关键词
deep eutectic solvents,computer simulation,quantum mechanics,molecular dynamics,machine leaning
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