SI for Paper Self-Assembly, Adaptive Response and in,out-Stereoisomerism of Large Orthoformate Cryptands
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https://figshare.com/articles/SI_for_Paper_Self-Assembly_Adaptive_Response_and_in_out-Stereoisomerism_of_Large_Orthoformate_Cryptands/12047397/1
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资源简介：
Additional Supporting information for computational studies for the paper "Self-Assembly, Adaptive Response and in,out-Stereoisomerism of Large Orthoformate Cryptands"by Henrik Löw, Elena Mena-Osteritz, Kathleen M. Mullen, Christof M. Jäger,* and Max von Delius*<br><br>- QM calculation structures and truncated output files- MD simulation paramter, input and analysis files (rmsd, PCA, lie, etc)
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figshare
创建时间：
2020-03-30
