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A new chemical compound with an unusual ratio of number of carbon and nitrogen atoms – C(N(12)): quantum-chemical modelling
Based on the results of a quantum chemical calculation using the DFT B3PW91/TZVP, MP2/TZVP and MP3/TZVP levels, the possibility of the existence of carbon–nitrogen compounds having the unusual carbon : nitrogen ratio 1 : 12, which is unknown for these elements at present, was shown. Data on the stru...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043186/ https://www.ncbi.nlm.nih.gov/pubmed/35492795 http://dx.doi.org/10.1039/d1ra07549g |