Publication detail

How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in he interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods

Year: 2020

Type of publication: článek v odborném periodiku

Name of source: Journal of Computer-Aided Molecular Design

Page from-to: 683-695

Titles:

Language	Name	Abstract	Keywords
cze	Jak jsou N-(pyridin-4-yl)pyridin-4-amin a jeho methyl- a nitro-derivát uspořádány v mezivrstvém prostoru sulfofenylfosfonátu zirkoničitého: problém řešený pomocí experimentálních a výpočetních metod	Klasické metody molekulární simulace byly použity pro popis uspořádání interkalovaných molekul N-(pyridin-4-yl)pyridin-4-aminu a jeho derivátů, 3-methyl-N-(pyridin-4-yl)pyridin-4-aminu a 3-nitro-N-(pyridin-4-yl)pyridin-4-aminu v mezivrstvém prostoru 4-sulfofenylfosfonátu zirkoničitého.	sulfofenylfosfonát zirkoničitý; interkalace; molekulární simulace; aminopyridin
eng	How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in he interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods	Classical molecular simulation methods were used for a description of an arrangement of intercalated molecules N-(pyridin-4-yl)pyridin-4-amine and its derivative, 3-methyl-N-(pyridin-4-yl)pyridin-4-amine, and 3-nitro-N-(pyridin-4-yl)pyridin-4-amine within a layered structure of zirconium 4-sulfophenylphosponate.	zirconium sulfophenylphosphonate; intercalation; molecular simulation; aminopyridine

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