Molecular dynamics trajectories for "Structure and chemistry of graphene oxide in liquid water from first principles"

Name: Molecular dynamics trajectories for "Structure and chemistry of graphene oxide in liquid water from first principles"
Creator: PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 24 Rue Lhomond 75005, Paris, France; Chimie ParisTech, PSL University, CNRS, Institut de Recherche de Chimie Paris, 75005, Paris, France
Published: 2020-04-01T00:00:00+08:00

Zenodo2020-04-01 更新2026-04-07 收录

分子动力学模拟

纳米材料化学

数据链接：

https://zenodo.org/record/3736713 数据链接链接失效反馈

官方服务：

资源简介：

This dataset contains molecular dynamics (MD) trajectories from the paper “Structure and chemistry of graphene oxide in liquid water from first principles”, F. Mouhat, F.-X. Coudert and M.-L. Bocquet, Nature Commun., 2020, 11, 1566, 10.1038/s41467-020-15381-y

提供机构：

PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 24 Rue Lhomond 75005, Paris, France; Chimie ParisTech, PSL University, CNRS, Institut de Recherche de Chimie Paris, 75005, Paris, France

创建时间：

2020-04-01