BSE49, a diverse, high-quality benchmark dataset of separation energies of chemical bonds
Measurement(s) bond separation energies Technology Type(s) ab initio quantum chemistry computational method Factor Type(s) existing or hypothetical model structure Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.16680787
Guardado en:
Autores principales: | Viki Kumar Prasad, M. Hossein Khalilian, Alberto Otero-de-la-Roza, Gino A. DiLabio |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/b91470d7c36b45c3b7cd7248e14e047a |
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