Lanean...
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules
Data science and machine learning in materials science require large datasets of technologically relevant molecules or materials. Currently, publicly available molecular datasets with realistic molecular geometries and spectral properties are rare. We here supply a diverse benchmark spectroscopy dat...
Gorde:
| Argitaratua izan da: | Sci Data |
|---|---|
| Egile Nagusiak: | , , , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Publishing Group UK
2020
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7029047/ https://ncbi.nlm.nih.gov/pubmed/32071311 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-020-0385-y |
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