遇见数据集

Hbond List (iAMOEBA)

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DataCite Commons2021-03-04 更新2025-04-10 收录
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<b>Hbond_List</b>: Contains files with list of molecules that are hydrogen bonded to each molecules, when considering the 2 hydrogen bond criteria mentioned in the article (PMF = 0 kT and PMF = -2 kT). Data is available at different temperatures and pressures. Each file name indicates the temperature, pressure and the hydrogen bond cut-off criterion used.<br>This folder contains data for iAMOEBA water model<br>This item is a part of the collection “Data for scientific article- Potential of mean force based identification of strong and weak hydrogen bonds in liquid water”, https://doi.org/10.11583/dtu.c.5324957<br>

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2021-03-04
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