Quantum chemical study on the interaction of arginine with silica surface

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 supermolec...

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Bibliographic Details
Main Authors: A. A. Kravchenko, E. M. Demianenko, A. G. Grebenyuk, M. I. Terets, M. G. Portna, V. V. Lobanov
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry of NAS of Ukraine 2021-11-01
Series:Хімія, фізика та технологія поверхні
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Online Access:https://cpts.com.ua/index.php/cpts/article/view/605
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