Henryk T. Flakus

Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory

Noureddine Issaoui, Houcine Ghalla, S. Muthu et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 105 citations

First Order Hyperpolarizability, Vibrational Spectra, Natural Sciences +5

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 Issaoui, Houcine Ghalla, Fehmi Bardak et al. · Journal of Molecular Structure · 2016 · 94 citations

Molecular Docking, Medicinal Chemistry, Acrylic Acid +9

Molecular docking studies, structural and spectroscopic properties of monomeric and dimeric species of benzofuran-carboxylic acids derivatives: DFT calculations and biological activities

Abir Sagaama, Olfa Noureddine, Silvia Antonia Brandán et al. · Computational Biology and Chemistry · 2020 · 92 citations

Combinatorial Chemistry, Molecular Docking Studies, Medicinal Chemistry +9

Infrared spectra of the hydrogen bond in benzoic acid crystals: temperature and polarization effects

Henryk T. Flakus, Michał Chełmecki · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2002 · 81 citations

Engineering, Natural Sciences, Spectroscopy +10

On the vibrational transition selection rules for the centrosymmetric hydrogen-bonded dimeric systems

Henryk T. Flakus · Journal of Molecular Structure THEOCHEM · 1989 · 77 citations

Physics, Natural Sciences, Chemical Bond +6