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2021 | 2 |
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Page 1
Synthesis, identification, density functional and Hirshfeld surface studies of 2,2'-disulfanediylbis(tetrahydro-4H-cyclopenta[d][1,3,2]dioxaphosphole-2-sulfide).
J Comput Chem. 2021 Oct 5;42(26):1873-1884. doi: 10.1002/jcc.26720. Epub 2021 Jul 19.
J Comput Chem. 2021.
PMID: 34390013
Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions.
Jodeh S, Jaber A, Hanbali G, Massad Y, Safi ZS, Radi S, Mehmeti V, Berisha A, Tighadouini S, Dagdag O.
Jodeh S, et al. Among authors: safi zs.
BMC Chem. 2022 Mar 21;16(1):17. doi: 10.1186/s13065-022-00814-0.
BMC Chem. 2022.
PMID: 35313931
Free PMC article.
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DFT calculations of 1H- and 13C-NMR chemical shifts of 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-amine in solution.
Safi ZS, Wazzan N.
Safi ZS, et al.
Sci Rep. 2022 Oct 22;12(1):17798. doi: 10.1038/s41598-022-22900-y.
Sci Rep. 2022.
PMID: 36273019
Free PMC article.
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Benchmark calculations of proton affinity and gas-phase basicity using multilevel (G4 and G3B3), B3LYP and MP2 computational methods of para-substituted benzaldehyde compounds.
Safi ZS, Wazzan N.
Safi ZS, et al.
J Comput Chem. 2021 Jun 15;42(16):1106-1117. doi: 10.1002/jcc.26538. Epub 2021 Apr 19.
J Comput Chem. 2021.
PMID: 33871092
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Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study.
Guo L, Safi ZS, Kaya S, Shi W, Tüzün B, Altunay N, Kaya C.
Guo L, et al. Among authors: safi zs.
Front Chem. 2018 May 7;6:155. doi: 10.3389/fchem.2018.00155. eCollection 2018.
Front Chem. 2018.
PMID: 29868558
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