Maqola

DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

Mouna MedimaghUniversity of Monastir, Laboratory of Quantum and Statistical Physics (LR18ES18), Faculty of Sciences, Monastir 5079, TunisiaCherifa Ben MlehUniversity of Carthage, Laboratory of Chemistry of Materials (LR13ES08), Faculty of Sciences of Bizerte, 7021, TunisiaNoureddine IssaouiUniversity of Monastir, Laboratory of Quantum and Statistical Physics (LR18ES18), Faculty of Sciences, Monastir 5079, TunisiaAleksandr S. KazachenkoSiberian Federal University, pr. Svobodny, 79, Krasnoyarsk 660041, RussiaThierry RoisnelCentre National de la Recherche ScientifiqueOmar M. Al-DossaryDepartment of Physics and Astronomy, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi ArabiaHouda MarouaniUniversity of Carthage, Laboratory of Chemistry of Materials (LR13ES08), Faculty of Sciences of Bizerte, 7021, TunisiaLeda G. BousiakougIMD Laboratories Co, R&D Section, Lefkippos Technology Park, NCSR Demokritos, PO Box 60037, 15130 Athens, Greece

2022en

Ochiq kirishYashil

Litsenziya: other-oa

ABI

Annotatsiya

Annotatsiya mavjud emas.

Identifikatorlar

DOI: 10.1016/j.molliq.2022.120851

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