SI for Paper Self-Assembly, Adaptive Response and in,out-Stereoisomerism of Large Orthoformate Cryptands
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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* - QM calculation structures and truncated output files- MD simulation paramter, input and analysis files (rmsd, PCA, lie, etc)
创建时间：
2020-03-30
