MD trajectories of bulk water and of the water-vacuum interface
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下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:2019.0030/v1
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资源简介：
This entry provides MD trajectories for bulk water and the water-vacuum interface generated with ab initio molecular dynamics using rVV10 density functional at the temperature of 350 K. In the rVV10 functional, the parameter b is set to 9.3.
提供机构：
Materials Cloud
创建时间：
2019-06-04
