Ab initio electronic structure of liquid water: Molecular dynamics snapshots
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下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:p2-c5
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资源简介：
This entry provides the snapshots of liquid water generated with ab initio molecular dynamics using rVV10 density functional at room temperature. Nuclear quantum effects are taken into account through path-integral molecular dynamics simulations.
提供机构：
Materials Cloud
创建时间：
2025-06-24
