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Квантовохімічне дослідження взаємодії аргініну з поверхнею кремнезему

The structure and energy characteristics of structures formed during arginine adsorption on silica surface from aqueous solution were studied by the density functional theory (B3LYP) method using a valence-split basis set         6-31++G(d,p) within the continuous solvent model (PCM) and supermolecu...

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Bibliographic Details
Date:2021
Main Authors: Kravchenko, A. A., Demianenko, E. M., Grebenyuk, A. G., Terets, M. I., Portna, M. G., Lobanov, V. V.
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2021
Subjects:
аргінін
поверхня кремнезему
адсорбція
кластерне наближення
метод теорії функціоналу густини
Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/605
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Journal Title:Chemistry, Physics and Technology of Surface

Institution

Chemistry, Physics and Technology of Surface

Internet

https://www.cpts.com.ua/index.php/cpts/article/view/605

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