189 results on '"Marouani, Houda"'
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2. Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study
3. Solvent–solute and non-covalent interactions on bis(4-Piperidinonium ethyl ketal) oxalate compound: DFT calculations and in silico drug-target profiling
4. Synthesis, characterization and identification of inhibitory activity on the main protease of COVID-19 by molecular docking strategy of (4-oxo-piperidinium ethylene acetal) trioxonitrate
5. Investigations on the non-covalent interactions, drug-likeness, molecular docking and chemical properties of 1,1,4,7,7- pentamethyldiethylenetriammonium trinitrate by density-functional theory
6. Supramolecular association of (1,4-phenylenedimethanaminium) bis(perchlorate) monohydrate: A combined experimental and theoretical study
7. 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
8. Assembly of two new hybrid chloride materials with potential NLO properties: Structure elucidation, empirical and computational studies
9. Synthesis, characterization, and computational survey of a novel material template o-xylylenediamine
10. Self-assembly of a new cobalt complex, (C6H14N2)3[CoCl4]Cl: Synthesis, empirical and DFT calculations
11. Molecular structure, spectroscopy, quantum chemical and antibacterial activity investigations of 2-methylbenzylammonium perchlorate
12. Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate
13. Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis
14. Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study
15. Self assembly of a novel Cu(II) complex, (C6H9N2)2[CuCl4]: experimental, computational, and molecular docking survey
16. Empirical and computational studies on newly synthesis cyclohexylammonium perchlorate
17. Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations
18. Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative
19. Synthesis, experimental and computational study of a non-centrosymmetric material 3-methylbenzylammonium trioxonitrate
20. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study
21. Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study
22. Experimental, computational, and in silico analysis of (C8H14N2)2[CdCl6] compound
23. Synthesis, characterization, Hirshfeld surface analysis and computational studies of 1-methylpiperazine-1,4-diium bis(hydrogen oxalate): [C5H14N2](HC2O4)2
24. A tetrachlorocobaltate(II) salt with 2-amino-5-picolinium: Synthesis, theoretical and experimental characterization
25. Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate
26. Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)
27. Synthesis, molecular modeling, quantum chemical calculations and in silico drug profiling of the novel (4-phenylpiperazin-1-ium) hydrogenfumarate as a tyrosinase inhibitor
28. Featuring non-covalent interactions in m-xylylenediaminium bis(perchlorate) monohydrate: Synthesis, characterization and Hirshfeld surface analysis
29. A proton transfer compound template phenylethylamine: Synthesis, a collective experimental and theoretical investigations
30. Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)
31. Synthesis, molecular modeling, quantum chemical calculations and in silico drug profiling of the novel (4-phenylpiperazin-1-ium) hydrogenfumarate as a tyrosinase inhibitor.
32. Bonding and noncovalent interactions effects in 2,6-dimethylpiperazine-1,4-diium oxalate oxalic acid: DFT calculation, topological analysis, NMR and molecular docking studies
33. Highlighting non-covalent interactions to molecular structure, electronic and vibrational spectra in a new hybrid organic-inorganic cobalt complex: synthesis, experimental and computational study
34. Promising bioactive properties of (2R,5S)-2,5-dimethylpiperazine-1,4-diium dinitrate material: experimental, theoretical and in silico investigation
35. Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties
36. Synthesis, structural and spectroscopic features, and investigation of bioactive nature of a novel organic-inorganic hybrid material 1H-1,2,4-triazole-4-ium trioxonitrate
37. Synthesis, molecular modeling, quantum chemical calculations and in silicodrug profiling of the novel (4-phenylpiperazin-1-ium) hydrogenfumarate as a tyrosinase inhibitor
38. Synthesis, characterization, Hirshfeld surface analysis and antioxidant activity of a novel organic-inorganic hybrid material 1-methylpiperazine-1,4-diium bis(nitrate)
39. Bonding and noncovalent interactions effects in 2,6-dimethylpiperazine-1,4-diium oxalate oxalic acid: DFT calculation, topological analysis, NMR and molecular docking studies.
40. Role of Non-Covalent Interactions in Novel Supramolecular Compound, Bis(4-phenylpiperazin-1-ium) Oxalate Dihydrate: Synthesis, Molecular Structure, Thermal Characterization, Spectroscopic Properties and Quantum Chemical Study
41. Synthesis, characterization and antioxidant activity of a novel organic–inorganic hybrid material trans-2,5-dimethylpiperazine-1,4-diium pentachlorobismuthate(III): [C6H16N2]BiCl5
42. Cr-substitution effect on structural, optical and electrical properties of CrxCe1−xPO4 (x = 0.00, 0.08, 0.10 and 0.20) nanorods
43. Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound
44. Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic–inorganic hybrid material: [C6H16N2]2(BiBr6)NO3
45. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study
46. Synthesis, characterization, and computational survey of a novel material template o-xylylenediamine
47. Synthesis, experimental, theoretical study and molecular docking of 1-ethylpiperazine-1,4-diium bis(nitrate)
48. Bis(3-phenylpropylammonium) dichromate (VI): Synthesis, crystal structure and spectroscopy studies
49. Bis(3-phenylpropylammonium) dichromate (VI): Synthesis, crystal structure and spectroscopy studies
50. textitm -Xylylenediaminium dinitrate
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