Published April 1, 2020
| Version v1
Dataset
Open
Molecular dynamics trajectories for "Structure and chemistry of graphene oxide in liquid water from first principles"
Authors/Creators
- 1. PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 24 Rue Lhomond 75005, Paris, France
- 2. Chimie ParisTech, PSL University, CNRS, Institut de Recherche de Chimie Paris, 75005, Paris, France
Description
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
Files
Files
(5.5 GB)
| Name | Size | Download all |
|---|---|---|
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md5:f9cac49a9a163b4392f609b1b949264d
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400.2 MB | Download |
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md5:3788716e0c96e232fe6970e3be0d0f4f
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411.2 MB | Download |
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md5:cee3e448e02524846991636d78cdfd8c
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406.4 MB | Download |
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md5:332c81fa8630cee86b5007e3999dfd2f
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1.0 GB | Download |
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md5:78fde640b9531496611a26faf29c13b2
|
1.0 GB | Download |
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md5:e284fc85f8eb9fc129db5b6602e48846
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1.2 GB | Download |
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md5:df5e06ae0729ee7f4a2059bf0f24756f
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1.0 GB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1038/s41467-020-15381-y (DOI)