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Calculation of magnetic response properties of tetrazines

Magnetic response properties of 1,2,3,5-tetrazine derivatives including the newly synthesized 4,6-diphenyl-1,2,3,5-tetrazine have been studied computationally at the density functional theory (DFT) level. Calculations of magnetically induced current densities and induced magnetic fields show that th...

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Detalles Bibliográficos
Autores principales: Orozco-Ic, Mesías, Celaya, Christian A., Sundholm, Dage
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9053762/
https://www.ncbi.nlm.nih.gov/pubmed/35517234
http://dx.doi.org/10.1039/d0ra01641a