A benchmark dataset for Hydrogen Combustion

A benchmark dataset for Hydrogen Combustion

Measurement(s) ab initio energies and forces of hydrogen combustion Technology Type(s) density functional theory • ab initio molecular dynamics • normal modes Factor Type(s) cartesian coordinates

Bibliographic Details
Main Authors: Xingyi Guan, Akshaya Das, Christopher J. Stein, Farnaz Heidar-Zadeh, Luke Bertels, Meili Liu, Mojtaba Haghighatlari, Jie Li, Oufan Zhang, Hongxia Hao, Itai Leven, Martin Head-Gordon, Teresa Head-Gordon
Format: Article
Language:English
Published: Nature Portfolio 2022-05-01
Series:Scientific Data
Online Access:https://doi.org/10.1038/s41597-022-01330-5

Internet

https://doi.org/10.1038/s41597-022-01330-5

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