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 Medimagh, Cherifa Ben Mleh, Noureddine ISSAOUI, Aleksandr S. Kazachenko, Thierry Roisnel, Omar M. Al-DOSSARY, Houda Marouani, Leda G. Bousiakoug

Open source

DOI
10.1016/j.molliq.2022.120851
Published
2023-01
Container
Journal of Molecular Liquids
Publisher
Elsevier BV
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.molliq.2022.120851,
  title = {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},
  author = {Mouna Medimagh and Cherifa Ben Mleh and Noureddine ISSAOUI and Aleksandr S. Kazachenko and Thierry Roisnel and Omar M. Al-DOSSARY and Houda Marouani and Leda G. Bousiakoug},
  year = {2023},
  journal = {Journal of Molecular Liquids},
  doi = {10.1016/j.molliq.2022.120851},
  url = {https://doi.org/10.1016/j.molliq.2022.120851}
}

RIS

TY  - JOUR
TI  - 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
AU  - Mouna Medimagh
AU  - Cherifa Ben Mleh
AU  - Noureddine ISSAOUI
AU  - Aleksandr S. Kazachenko
AU  - Thierry Roisnel
AU  - Omar M. Al-DOSSARY
AU  - Houda Marouani
AU  - Leda G. Bousiakoug
PY  - 2023
JO  - Journal of Molecular Liquids
DO  - 10.1016/j.molliq.2022.120851
UR  - https://doi.org/10.1016/j.molliq.2022.120851
ER  - 

APA

Medimagh, M., Mleh, C. B., ISSAOUI, N., Kazachenko, A. S., Roisnel, T., Al-DOSSARY, O. M., Marouani, H., & Bousiakoug, L. G. (2023). 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. Journal of Molecular Liquids. https://doi.org/10.1016/j.molliq.2022.120851

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