Dataset
Dataset for: Electronic free energy surface of the nitrogen dimer using first-principles finite temperature electronic structure methods
University of Iowa
12/10/2024
DOI: 10.25820/data.006648
Abstract
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.
Details
- Title: Subtitle
- Dataset for: Electronic free energy surface of the nitrogen dimer using first-principles finite temperature electronic structure methods
- Creators
- James J Shepherd - University of Iowa, ChemistryHayley R Petras - University of Iowa, ChemistryWilliam Z Van Benschoten - University of Iowa
- Contributors
- Brian Westra (Data Curator) - University of Iowa, Humanities and Social Sciences/Scholarly Impact
- Resource Type
- Dataset
- Publisher
- University of Iowa
- DOI
- 10.25820/data.006648
- Grants
- Early Career Research Program (ECRP), DE-SC0021317, United States Department of Energy (United States, Washington) - DOE
- Language
- English
- Date collected
- 01/2023
- Date published
- 12/10/2024
- Academic Unit
- Chemistry; Humanities and Social Sciences/Scholarly Impact
- Record Identifier
- 9984440758202771
Metrics
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