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