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Precisely predicting the (1)H and (13)C NMR chemical shifts in new types of nerve agents and building spectra database

Following the recent terrorist attacks using Novichok agents and the subsequent decomposition operations, understanding the chemical structures of nerve agents has become important. To mitigate the ever-evolving threat of new variants, the Organization for the Prohibition of Chemical Weapons has upd...

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Detalles Bibliográficos
Autores principales: Jeong, Keunhong, Ryu, Tae In, Hwang, Seung-Ryul, Cho, Yoonjae, Lim, Kyoung Chan, Yoon, Ung Hwi, Lee, Jin-Young, Yoon, Young Wook, Jeong, Hey Jin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9700684/
https://www.ncbi.nlm.nih.gov/pubmed/36434133
http://dx.doi.org/10.1038/s41598-022-24647-y