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In silico geometric and energetic data of all possible simple rotamers made of non-metal elements
This article presents theoretical data on geometric and energetic features of halogenated rotamers of the following backbone structures, C—C, N—N, P—P, O—O, S—S, N—P, O—S, C—N, C—P, C—O, C—S, N—O, N—S, P—O and P—S. The data is considered to be comprehensive combinations of non-metal elements in the...
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| Publicado no: | Data Brief |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7150501/ https://ncbi.nlm.nih.gov/pubmed/32292807 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2020.105442 |
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