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How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features—Multifactor Studies

Substitution is well-known to modulate the physico-chemical properties of molecules. In this study, a combined, multifactor approach was employed to determine a plethora of substitution patterns using –Br and –O-H in 1,4-naphthoquinone and its derivatives. On the basis of classical Density Functiona...

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Detalles Bibliográficos
Autores principales:	Pocheć, Michał, Kułacz, Karol, Panek, Jarosław J., Jezierska, Aneta
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8508802/ https://www.ncbi.nlm.nih.gov/pubmed/34638700 http://dx.doi.org/10.3390/ijms221910357

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