Dataset: Water Molecules Confined in Cryptophane Nanocages: Structures and Dynamics Driven by Hydrogen Bonding and Water Chains
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资源简介：
trj.tar.gz: All MD trajectories. xcontrol.txt: Typical xtb input file for the MD simulations. DOI: 10.1021/acs.jpcb.4c00018
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Perttu Hilla创建时间：
2025-02-18
