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Showing papers by "Houcine Ghalla published in 2017"

Journal Article•DOI•
Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking

[...]

Noureddine Issaoui1, Houcine Ghalla1, Fehmi Bardak2, Mehmet Karabacak2, N. Aouled Dlala1, Henryk T. Flakus3, Brahim Oujia1, Brahim Oujia4 •
University of Monastir1, Celal Bayar University2, University of Silesia in Katowice3, King Abdulaziz University4
15 Feb 2017-Journal of Molecular Structure
TL;DR: In this article, the molecular structures and vibrational spectral analyses of 3-(2-Theinyl)acrylic acid (3-2TAA) monomer and dimer structures have been reported by using density functional theory calculations at B3LYP/6-311++G(d,p) level of theory.

52 citations

Journal Article•DOI•
Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid

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Noureddine Issaoui1, Houcine Ghalla1, Silvia Antonia Brandán2, Fehmi Bardak3, Henryk T. Flakus4, Ahmet Atac3, Brahim Oujia1 •
University of Monastir1, National University of Tucumán2, Celal Bayar University3, University of Silesia in Katowice4
05 May 2017-Journal of Molecular Structure
TL;DR: In this article, the structural, electronic, topological and vibrational properties of 3-thiopheneacrylic acid were theoretically studied by using the hybrid B3LYP method with the 6-311++G (d,p) basis set.

47 citations

Journal Article•DOI•
Crystal structure and theoretical studies on quinoline phosphate

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T. Ben Issa1, T. Ben Issa2, Houcine Ghalla2, S. Marzougui2, Latifa Benhamada1 •
University of Sousse1, University of Monastir2
15 Dec 2017-Journal of Molecular Structure
TL;DR: The crystal structure of (C9H7N) H3PO4 (QP) was determined from single crystals obtained by slow evaporation methods (space group Pī; a,= 7.5508(3)A, b,=Â7.9705(3), A, c,= ǫ 8.6849(3)-A; α,=",77.3725(18)°, β,=´82.6225(19), γ,=ǫ 74.9829(19)°)

12 citations