Ultra-fast hybrid method for predicting chemical shifts of ¹³C: hybrid strategy with dynamic internal patterns and linear parameters

NMR spectroscopy is an essential tool for molecular characterization and structure elucidation, but the accurate prediction of chemical shifts in complex systems is still a challenge. In this study, we developed an ultrafast predictive model for ¹³C chemical shifts, applied to a phenylpiperazine der...

Täydet tiedot

Bibliografiset tiedot

Päätekijä:	Atila Wuingryfi Reis Uchoa
Aineistotyyppi:	Artigo
Kieli:	Português
Julkaistu:	Universidade Federal de Roraima, Centro de Ciência e Tecnologia 2025-07-01
Sarja:	RCT: Revista de Ciência e Tecnologia
Aiheet:	chemical shifts; nmr spectroscopy; predictive model.
Linkit:	https://revista.ufrr.br/rct/article/view/8522
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