Dataset: Water Molecules Confined in Cryptophane Nanocages: Structures and Dynamics Driven by Hydrogen Bonding and Water Chains

Name: Dataset: Water Molecules Confined in Cryptophane Nanocages: Structures and Dynamics Driven by Hydrogen Bonding and Water Chains
Creator: Perttu Hilla
Published: 2025-02-18 14:26:48
License: 暂无描述

DataCite Commons2025-02-18 更新2025-04-16 收录

下载链接：

https://etsin.fairdata.fi/dataset/b0bedc2b-07bc-4d7c-8b19-d35d93cab5f7

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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

提供机构：

Perttu Hilla

创建时间：

2025-02-18