Dataset for: Electronic free energy surface of the nitrogen dimer using first-principles finite temperature electronic structure methods
收藏DataCite Commons2024-12-11 更新2025-04-17 收录
下载链接:
https://iro.uiowa.edu/esploro/outputs/dataset/9984440758202771
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资源简介:
This dataset contains the data and scripts required to generate the figures used through the manuscript titled: "Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure Methods" as well as the associated supplementary information. In addition to these are the raw calculation data and eigenenergies required to produce the data used with the aforementioned manuscript and supplementary information. For more information see the related text: https://doi.org/10.1021/acs.jpca.3c01741.
提供机构:
University of Iowa
创建时间:
2024-12-11



