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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Detalles Bibliográficos
Autores principales: Limpanuparb, Taweetham, Datta, Sopanant, Chinsukserm, Kridtin, Teeraniramitr, Peerayar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7150501/
https://www.ncbi.nlm.nih.gov/pubmed/32292807
http://dx.doi.org/10.1016/j.dib.2020.105442

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7150501/
https://www.ncbi.nlm.nih.gov/pubmed/32292807
http://dx.doi.org/10.1016/j.dib.2020.105442

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