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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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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 |