Noureddine ISSAOUI

发表

Ab initio calculation of the electronic structure of the strontium hydride ion (SrH

F. Gadéa, S. Yaghmour, Leila Mejrissi, 2015 .

Sulfation of Wheat Straw Soda Lignin with Sulfamic Acid over Solid Catalysts

M. Lutoshkin, A. Kazachenko, A. Miroshnikova, 2022, Polymers.

Study of a new piperidone as an anti- Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method

O. Al-Dossary, M. Medimagh, Arulraj Ramalingam, 2021, Journal of King Saud University - Science.

Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties

I. Sudakova, A. Kazachenko, A. Miroshnikova, 2021, ACS omega.

Synthesis, experimental, theoretical study and molecular docking of 1-ethylpiperazine-1,4-diium bis(nitrate)

T. Roisnel, Sofian Gatfaoui, H. Marouani, 2020 .

3-Chloro-3-methyl-2,6-diarylpiperidin-4-ones as Anti-Cancer Agents: Synthesis, Biological Evaluation, Molecular Docking, and In Silico ADMET Prediction

W. Chng, M. Medimagh, N. Mustafa, 2022, Biomolecules.

Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study

T. Roisnel, A. Kazachenko, S. Brandán, 2021, Journal of Molecular Structure.

Investigation of hydrogen bonded structure of urea-water mixtures through Infra-red spectroscopy and non-covalent interaction (NCI) theoretical approach

S. Nasr, F. Hammami, Noureddine ISSAOUI, 2021 .

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

M. Medimagh, O. Oyeneyin, Arulraj Ramalingam, 2022, Heliyon.

Assembly of two new hybrid chloride materials with potential NLO properties: Structure elucidation, empirical and computational studies

T. Roisnel, H. Marouani, Noureddine ISSAOUI, 2022, Journal of the Iranian Chemical Society.

A Comprehensive Study of N-Butyl-1H-Benzimidazole

Dmitry V. Zimonin, A. Kazachenko, A. M. Skripnikov, 2022, Molecules.

Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

A. Kazachenko, Zhouyang Xiang, A. S. Kazachenko, 2022, Journal of King Saud University - Science.

Supramolecular association of (1,4-phenylenedimethanaminium) bis(perchlorate) monohydrate: A Combined Experimental and Theoretical Study

T. Roisnel, H. Marouani, Noureddine ISSAOUI, 2022, Journal of Molecular Structure.

Experimental and Theoretical Study of the Sulfamic Acid-Urea Deep Eutectic Solvent

A. Kazachenko, M. Medimagh, Zhouyang Xiang, 2022, Journal of Molecular Liquids.

Non covalent interactions and molecular docking studies on morphine compound

A. Kazachenko, O. Al-Dossary, Noureddine ISSAOUI, 2021, Journal of King Saud University - Science.

Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)

S. Brandán, Sofian Gatfaoui, Olfa Noureddine, 2020 .

Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde

H. Ghalla, F. Bardak, A. Atac, 2018, Computational Materials Science.

DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis

A. Kazachenko, Noureddine ISSAOUI, Feride Akman, 2022, Polymer Science, Series B.

A Combined Experimental and Theoretical Studies of two new Decavanadate: (C6N2H9)4[H2V10O28]•4H2O and (C7H9NF)4[H2V10O28]•2H2O

E. Molins, Brahim Ayed, M. Benito, 2022, Journal of Molecular Structure.

Estimation of electrostatic and covalent contributions to the enthalpy of H-bond formation in H-complexes of 1,2,3-benzotriazole with proton-acceptor molecules by IR spectroscopy and DFT calculations

Noureddine ISSAOUI, N. L. Lavrik, O. Al-Dossary, 2022, Journal of King Saud University - Science.

Modification of Arabinogalactan Isolated from Larix sibirica Ledeb. into Sulfated Derivatives with the Controlled Molecular Weights

A. M. Skripnikov, A. Kazachenko, A. Miroshnikova, 2021, Molecules.

Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties

T. Roisnel, S. Brandán, H. Marouani, 2018, Journal of Molecular Structure.

Self assembly of a novel Cu(II) complex, (C6H9N2)2[CuCl4]: experimental, computational, and molecular docking survey

T. Roisnel, N. Issaoui, Sofian Gatfaoui, 2021, Journal of the Iranian Chemical Society.

Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

A. Kazachenko, F. Akman, Noureddine ISSAOUI, 2020, Journal of Molecular Modeling.

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

T. Roisnel, S. Brandán, F. Bardak, 2019, Journal of Molecular Structure.

Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods

H. Flakus, H. Ghalla, B. Oujia, 2014 .

Theoretical Infrared Line Shapes of H-Bonds Within the Strong Anharmonic Coupling Theory and Fermi Resonances Effects

M. Wójcik, B. Oujia, N. Rekik, 2010 .

Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds

M. Wójcik, B. Oujia, N. Rekik, 2009 .

Infrared spectral density of hydrogen bonds within the strong anharmonic coupling theory: Quadratic dependence of the angular frequency and the equilibrium position of the fast mode

M. Wójcik, H. Ghalla, B. Oujia, 2007 .

IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part I: Anharmonic coupling parameter and temperature effects

M. Wójcik, H. Ghalla, B. Oujia, 2007 .

Design, synthesis and physico-chemical studies of a Co(II)/Co(III) mixed-valence complex: An experimental and DFT approach

Noureddine Mhadhbi, M. Turnbull, A. Roodt, 2021 .

Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis

A. Kazachenko, O. Al-Dossary, M. Medimagh, 2022, Journal of Molecular Structure.

Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, anti-diabetic activity and molecular docking studies of (E)-N’-(5-bromo-2-hydroxybenzylidene) isonicotinohydrazide

Y. Mabkhot, S. Radi, H. Ghabbour, 2020, Journal of Molecular Structure.

Non covalent interactions analysis and spectroscopic characterization combined with molecular docking study of N'-(4-Methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

A. Kazachenko, O. Al-Dossary, F. Bardak, 2021, Journal of King Saud University - Science.

Design and synthesis of new benzopyrimidinone derivatives: α-amylase inhibitory activity, molecular docking and DFT studies

Anis Romdhane, H. Jannet, M. Znati, 2021 .

DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19

O. Al-Dossary, Olfa Noureddine, Noureddine ISSAOUI, 2020, Journal of King Saud University - Science.

Catalytic multicomponent synthesis, biological evaluation, molecular docking, and in silico ADMET studies of some novel 3-alkyl indoles

Arulraj Ramalingam, Sivakumar Sambandam, Noureddine ISSAOUI, 2022, Journal of King Saud University - Science.

Synthesis, physico-chemical studies, non-linear optical properties and DFT calculations of a new non-centrosymmetric compound: (3-ammoniumpyridinium)tetrachloridozincate (II)

F. Mezzadri, G. Calestani, Brahim Ayed, 2019, Journal of Molecular Structure.

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

Henryk T. Flakus, Abir Sagaama, Noureddine Issaoui, 2020, Comput. Biol. Chem..

Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer.

S. Yaghmour, H. Flakus, H. Ghalla, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A complete assignment of the vibrational spectra of 2-furoic acid based on the structures of the more stable monomer and dimer.

M. V. Castillo, S. Brandán, H. Flakus, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT Investigation of a Charge-Transfer Complex Formation Between p-Phenylenediamine and 3,5-Dinitrosalicylic Acid

A. Athmani, N. Issaoui, M. Cheriet, 2019, Journal of Structural Chemistry.

Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

S. Brandán, Sofian Gatfaoui, Olfa Noureddine, 2020 .

A proton transfer compound template phenylethylamine: Synthesis, a collective experimental and theoretical investigations

T. Roisnel, Sofian Gatfaoui, H. Marouani, 2019, Journal of Molecular Structure.

Computational study of 3-thiophene acetic acid: Molecular docking, electronic and intermolecular interactions investigations

Abir Sagaama, Noureddine Issaoui, Takoua Ben Issa, 2020, Comput. Biol. Chem..

Synthesis, crystal structure, vibrational spectroscopy, optical investigation and DFT study of a novel hybrid material: 4,4′-diammoniumdiphenylsulfone iodobusmuthate

Brahim Ayed, Ali Harchani, M. Mansour, 2019 .

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, DFT, AIM, ELF, RDG and molecular docking studies of bis[4-(dimethylamino)pyridinium]di-µ-chlorido-bis[dichloridomercurate(II)]

T. Roisnel, M. Medimagh, Noureddine ISSAOUI, 2021, Journal of Coordination Chemistry.

Catalytic Sulfation of Betulin with Sulfamic Acid: Experiment and DFT Calculation

A. A. Kondrasenko, A. Kazachenko, A. Miroshnikova, 2022, International journal of molecular sciences.

A Density Functional Theory calculations of infrared spectra of galactomannan butyl ether

A. Kazachenko, A. Miroshnikova, O. Al-Dossary, 2021, Journal of Molecular Structure.

Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study

O. Al-Dossary, M. Medimagh, Sofian Gatfaoui, 2021, Heliyon.

THEORETICAL MODELING OF HYDROGEN BOND INFRARED SPECTRA IN MOLECULAR CRYSTALS OF 2-THIOPHENEACETIC ACID : FERMI RESONANCE AND DAVYDOV COUPLING EFFECTS

H. Flakus, H. Ghalla, B. Oujia, 2016 .

A theoretical model for polarized infrared spectra of crystals of 2-naphthyl acetic acid in the OH-stretching region

H. Ghalla, B. Oujia, Noureddine ISSAOUI, 2013 .

Theoretical Simulation of the Infrared Absorption Spectrum of the Strong Hydrogen and Deuterium Bond in 2-Pyridone Dimer

H. Ghalla, B. Oujia, Noureddine ISSAOUI, 2012 .

Theoretical IR spectral density of H-bond in liquid phase: Combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations

M. Wójcik, B. Oujia, N. Rekik, 2008 .

Theoretical study of the polarized infrared spectra of the hydrogen bond in 2‐furoic acid crystal dimer

H. Ghalla, B. Oujia, Noureddine ISSAOUI, 2012 .

Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: Experimental and computational analysis

T. Roisnel, H. Marouani, Noureddine ISSAOUI, 2021 .

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

M. Karabacak, H. Flakus, H. Ghalla, 2017 .

Properties and Molecular docking of Antiviral to COVID-19 Chloroquine combining DFT calculations with SQMFF approach

E. Romano, S. Brandán, Noureddine ISSAOUI, 2020 .

Experimental, computational, and in silico analysis of (C8H14N2)2[CdCl6] compound

T. Roisnel, Sofian Gatfaoui, Olfa Noureddine, 2020, Journal of Molecular Structure.

Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2-carboxylic acid

Abir Sagaama, Noureddine Issaoui, Noureddine ISSAOUI, 2020, Computational Biology and Chemistry.

Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect

M. Wójcik, H. Ghalla, B. Oujia, 2007 .

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.

S. Muthu, H. Flakus, H. Ghalla, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure, spectroscopy, quantum chemical and antibacterial activity investigations of 2-methylbenzylammonium perchlorate

T. Roisnel, O. Aldossary, H. Marouani, 2022 .

Empirical and computational studies on newly synthesis cyclohexylammonium perchlorate

V. Dorcet, T. Roisnel, H. Marouani, 2021 .

Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

M. Wójcik, A. Kazachenko, O. Al-Dossary, 2021, Journal of Molecular Liquids.

Synthesis, experimental and computational study of a non-centrosymmetric material 3-methylbenzylammonium trioxonitrate

T. Roisnel, N. Issaoui, Sofian Gatfaoui, 2021, Journal of Molecular Structure.

Optimization of guar gum galactomannan sulfation process with sulfamic acid

A. Kazachenko, N. Y. Vasilyeva, Noureddine ISSAOUI, 2021, Biomass Conversion and Biorefinery.

Infrared Spectral Density of Medium Strength H-bonds within the Strong Anharmonic Coupling Theory: Both Intrinsic Anharmonicity of the Fast Mode and the H-bond Bridge

M. Wójcik, H. Ghalla, B. Oujia, 2006 .

Theoretical Modeling of Infrared Spectra of Cyclic Acetylsalicylic Acid Dimer and its Deuterated Derivative

M. Wójcik, H. Ghalla, B. Oujia, 2006 .

Experimental and Theoretical investigations on Structural-Function Relationship of new Iron (III) complex with 2-(Ammoniomethyl)pyridinium cation as ligand: A promising material for Green Solar Cells

M. El-ghozzi, Noureddine Mhadhbi, A. Tozri, 2021, Journal of Molecular Structure.

Sulfation of arabinogalactan with ammonium sulfamate

A. A. Kondrasenko, A. Kazachenko, A. Miroshnikova, 2022, Biomass Conversion and Biorefinery.

Food Xanthan Polysaccharide Sulfation Process with Sulfamic Acid

Dmitry V. Zimonin, A. Kazachenko, A. Miroshnikova, 2021, Foods.

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

T. Roisnel, F. Bardak, A. Atac, 2017 .

Comprehensive Study of the Ammonium Sulfamate–Urea Binary System

A. Kazachenko, A. Miroshnikova, F. Akman, 2023, Molecules.

New reactions of betulin with sulfamic acid and ammonium sulfamate in the presence of solid catalysts

Dmitry V. Zimonin, A. Kazachenko, A. Miroshnikova, 2022, Biomass Conversion and Biorefinery.

Synthesis optimization, DFT and physicochemical study of chitosan sulfates

A. Kazachenko, F. Akman, A. Karacharov, 2021 .

Theoretical and experimental study of guar gum sulfation

A. Kazachenko, F. Akman, Noureddine ISSAOUI, 2021, Journal of Molecular Modeling.

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

O. Al-Dossary, M. Medimagh, Olfa Noureddine, 2021, Journal of King Saud University - Science.

Searching potential antiviral candidates for the treatment of the 2019 novel coronavirus based on DFT calculations and molecular docking

S. Brandán, Noureddine ISSAOUI, Abir Sagaama, 2020, Heliyon.

Ab initio study of Ba+Arn (n = 1–4) clusters: spectroscopic constants and vibrational energy levels

A. Mahros, S. Yaghmour, H. Ghalla, 2016 .

Spectroscopic and electric dipole properties of the Van der Waals interaction between barium and krypton atoms

K. Abdessalem, Leila Mejrissi, H. Habli, 2018, Molecular Physics.

One and two-electron investigation of electronic structure for Ba(+)Xe and BaXe van der Waals molecules in a pseudopotential approach.

F. Gadéa, K. Abdessalem, Leila Mejrissi, 2013, The journal of physical chemistry. A.

A tetrachlorocobaltate(II) salt with 2-amino-5-picolinium: Synthesis, theoretical and experimental characterization

T. Roisnel, Sofian Gatfaoui, H. Marouani, 2020, Journal of Molecular Structure.

Synthesis and characterization of p-xylylenediaminium bis(nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties

T. Roisnel, S. Brandán, Sofian Gatfaoui, 2018 .

Steric and energetic characterizations of mouse and human musk receptors activated by nitro musk smelling compounds at molecular level: Statistical physics treatment and molecular docking analysis.

A. B. Lamine, Noureddine ISSAOUI, Abir Sagaama, 2021, International Journal of Biological Macromolecules.

Theoretical investigation of the relative stability of Na⁺He(n) (n = 2-24) clusters: many-body versus delocalization effects.

F. Calvo, S. Yaghmour, K. Abdessalem, 2014, The Journal of chemical physics.

Physico‐Chemical Properties, Pharmacokinetics, Molecular Docking and In‐Vitro Pharmacological Study of a Cobalt (II) Complex Based on 2‐Aminopyridine

Noureddine Mhadhbi, W. Hamadou, R. Badraoui, 2022, ChemistrySelect.

Synthesis, Empirical and Theoretical Investigations on New Histaminium Bis(Trioxonitrate) Compound

T. Roisnel, A. Kazachenko, A. S. Kazachenko, 2023, Molecules.

A DFT Study of the Hydrogen Bonded Structures of Pyruvic Acid–Water Complexes

N. Issaoui, F. Hammami, Noureddine ISSAOUI, 2022, Frontiers in Physics.

Sulfation of Birch Wood Microcrystalline Cellulose with Sulfamic Acid Using Ion-Exchange Resins as Catalysts

I. Sudakova, M. Lutoshkin, A. Kazachenko, 2023, Polymers.

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

S. Brandán, H. Flakus, H. Ghalla, 2017 .

Properties and Reactivities of Niclosamide in Different Media, a Potential Antiviral to Treatment of COVID-19 by Using DFT Calculations and Molecular Docking

S. Brandán, D. Romani, Olfa Noureddine, 2020, Biointerface Research in Applied Chemistry.

Self-assembly of a new cobalt complex, (C6H14N2)3[CoCl4]Cl : Synthesis, empirical and DFT calculations

T. Roisnel, A. Kazachenko, O. Al-Dossary, 2021, Journal of King Saud University - Science.

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

T. Roisnel, A. Kazachenko, Sofian Gatfaoui, 2023, Journal of King Saud University. Science.

Combined statistical physics models and DFT theory to study the adsorption process of paprika dye On TiO2 for dye sensitized solar cells

A. B. Lamine, N. Issaoui, N. Bouaziz, 2020 .

Structures and relative stabilities of Na+Nen (n = 1–16) clusters via pairwise and DFT calculations

H. Ghalla, B. Oujia, Avni Berisha, 2019, Theoretical Chemistry Accounts.

DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19

O. Al-Dossary, Olfa Noureddine, Noureddine ISSAOUI, 2020, Journal of King Saud University - Science.

Synthesis, crystal structure, spectroscopic, antidiabetic, antioxidant and computational investigations of Ethyl 5-hydroxy-1-isonicotinoyl-3-methyl-4,5-dihydro-1H-pyrazole-5-carboxylate

H. Benzeid, S. Brandán, M. E. Karbane, 2021, Journal of Molecular Structure.

Theoretical model of infrared spectra of hydrogen bonds in molecular crystals of 2-thiopheneacetic acid: Fermi resonance and Davdov coupling effects.

H. Flakus, H. Ghalla, B. Oujia, 2016 .

Composition and Structure of Aspen (Pópulus trémula) Hemicelluloses Obtained by Oxidative Delignification

I. Sudakova, A. Miroshnikova, V. V. Sychev, 2022, Polymers.

Molecular Characteristics and Antioxidant Activity of Spruce (Picea abies) Hemicelluloses Isolated by Catalytic Oxidative Delignification

I. Sudakova, A. Miroshnikova, A. M. Skripnikov, 2022, Molecules.

Solvent effect on the self-association of the 1,2,4-triazole: a dft study

A. Jumabaev, Noureddine ISSAOUI, O. Al-Dossary, 2023, Journal of Molecular Liquids.

Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

A. Jumabaev, H. Hushvaktov, Noureddine ISSAOUI, 2023, Journal of Molecular Liquids.

Synthesis, characterization, and computational survey of a novel material template o-xylylenediamine

T. Roisnel, H. Marouani, Noureddine ISSAOUI, 2021, Journal of the Iranian Chemical Society.

Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative

O. Al-Dossary, Sofian Gatfaoui, Olfa Noureddine, 2021 .

Molecular level Interaction of solvents (water, benzene and DMSO) Analysis of the 2-Bromo-6-nitrotoluene's reactive charge transfer, docking, and spectroscopic properties

Noureddine ISSAOUI, O. Al-Dossary, P. Sangeetha, 2023, Journal of King Saud University - Science.

Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri

A. Kazachenko, F. Akman, A. S. Kazachenko, 2023, Molecules.

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

T. Roisnel, A. Kazachenko, M. Medimagh, 2022, Journal of Molecular Liquids.

Experimental, Theoretical, Computational and Spectroscopic analysis in binary liquid mixtures containing 1-propanol and C-1 to C-4 alkyl acetates (T= 298.15-318.15 K): Physicochemical properties and molecular interaction studies

Deepa R. Parmar, Naveen Kumar, Nuha Wazzan, 2023, Journal of Molecular Liquids.

Molecular interaction analysis and Transport properties of Binary liquid mixtures containing 1-Amino-2-propanol and alkyl acetates at T= 298.15-318.15 K: Application of Graph theory and DFT Studies

Deepa R. Parmar, M. Sahal, Naveen Kumar, 2023, Journal of Saudi Chemical Society.

Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors

A. Kazachenko, M. Raja, A. S. Kazachenko, 2023, Molecules.

Vibrational Spectroscopies, Global Reactivity, Molecular Docking, Thermodynamic Properties and Linear and Nonlinear Optical Parameters of Monohydrate Arsenate Salt of 4-Aminopyridine

Noureddine Mhadhbi, B. Badraoui, R. Badraoui, 2023, Chemistry Africa.

Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3,4-dihydroxyphenyl) ethanaminium nitrate

A. Kazachenko, M. Medimagh, O. Aldossary, 2021, Journal of King Saud University - Science.

Sulfation of Agarose with Ammonium Sulfamate: a Combined Experimental and Theoretical Study

F. Akman, N. Y. Vasilyeva, A. Karacharov, 2023, Journal of Molecular Structure.

Noncovalent interactions in N-methylurea crystalline hydrates

A. Kazachenko, F. Akman, A. S. Kazachenko, 2023, Zeitschrift für Physikalische Chemie.

Synthesis of novel supramolecular selenomolybdate as anticancer agents: An experimental and DFT computational analysis

N. Dege, Brahim Ayed, Ichraf Nagazi, 2024, Journal of Molecular Structure.

Theoretical and experimental approach on investigation of ethylurea-water clusters

A. Kazachenko, F. Akman, A. S. Kazachenko, 2023, Zeitschrift für Physikalische Chemie.

Computational insight into the spectroscopic and molecular docking analysis of estrogen receptor with ligand 2,3-dimethyl-N[2-(hydroxy)benzylidene] aniline

Noureddine ISSAOUI, O. Al-Dossary, A. Prabakaran, 2024, Journal of King Saud University - Science.

DIFFERENT APPROACHES TO AGAROSE SULFATION WITH SULFAMIC ACID

A. Kazachenko, V. V. Sychev, A. S. Kazachenko, 2024, Cellulose Chemistry and Technology.

Experimental analysis of volumetric, acoustic, viscometric and optical properties of water with 1-amino-2-propanol, 1,2-diaminopropane and 1,3-diaminopropane at T=298.15 -318.15 K: Molecular Modelling by Graph, PFP and IR spectroscopy investigations

Deepa R. Parmar, Noureddine ISSAOUI, M. Rani, 2023, Journal of the Taiwan Institute of Chemical Engineers.

Volumetric, Viscometric, Acoustic, and Optical Properties of Ternary Liquid Mixtures Containing 1-Propanol, 1,3-Diaminopropane, and Methyl Acetate at Temperatures of 298.15–318.15 K

Deepa R. Parmar, M. Rani, Naveen Kumar, 2023, Journal of Chemical & Engineering Data.