Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate
In this paper, experimental and theoretical results of 2-(3, 4-dihydroxyphenyl) ethanaminium nitrate (2DOPN) have been investigated. From DFT calculations, molecular geometry and optimized parameters of 2-(3, 4-dihydroxyphenyl) ethanaminium nitrate have been obtained at B3LYP/ 6–311 ++ G(d, p) level...
Main Authors: | Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui, Omar Al-Dossary, Aleksandr S. Kazachenko, Houda Marouani, Marek.J. Wojcik |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2021-12-01
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Series: | Journal of King Saud University: Science |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S1018364721002780 |
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