Going beyond structural effects: explicit solvation influence on the rotational isomerism of C-glycosylated flavonoids

Karine Nascimento de Andrade,Lucas H. Martorano,Guilherme S. Corrêa,Fernando Santos,José Walkimar de M. Carneiro,Ana Carolina Ferreira de Albuquerque,Anne Caroline Candido Gomes,Rodolfo G. Fiorot

Organic chemistry frontiers（2023）

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摘要

Quantum-chemical calculations reveal that solvation plays a crucial role to the rotational isomerism in C -glycosyl-flavonoids, besides of the substituent effects.

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关键词

rotational isomerism,explicit solvation influence

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