Works by Arfaoui, Youssef

Results: 30

A convenient synthesis of alkyl-2-(2-imino-4-oxothiazolidin-5-ylidene)acetate derivatives involving an electrogenerated base of acetonitrile.

Published in:

Journal of Sulfur Chemistry, 2017, v. 38, n. 2, p. 152, doi. 10.1080/17415993.2016.1259416

By:

Sbei, Najoua;
Haouas, Baya;
Chebbi, Monia;
Smida, Youssef Ben;
Arfaoui, Youssef;
Boujlel, Khaled;
Benkhoud, Mohamed Lamine

Publication type:

Article

Electrogenerated base-promoted synthesis and antimicrobial activity of 2-imino-1,3-thiazolidin-4-one derivatives.

Published in:

Journal of Sulfur Chemistry, 2016, v. 37, n. 4, p. 391, doi. 10.1080/17415993.2016.1155588

By:

Haouas, Beya;
Saied, Taieb;
Ayari, Hanen;
Arfaoui, Youssef;
Benkhoud, Mohamed Lamine;
Boujlel, Khaled

Publication type:

Article

Silver–N‐heterocyclic carbene complexes‐catalyzed multicomponent reactions: Synthesis, spectroscopic characterization, density functional theory calculations, and antibacterial study.

Published in:

Archiv der Pharmazie, 2021, v. 354, n. 9, p. 1, doi. 10.1002/ardp.202100111

By:

Mnasri, Aziza;
Mejri, Amal;
Al‐Hazmy, Sadeq M.;
Arfaoui, Youssef;
Özdemir, Ismail;
Gürbüz, Nevin;
Hamdi, Naceur

Publication type:

Article

Theoretical Density Functional Theory insights into the nature of chalcogen bonding between CX2 (X = S, Se, Te) and diazine from monomer to supramolecular complexes.

Published in:

International Journal of Quantum Chemistry, 2019, v. 119, n. 6, p. N.PAG, doi. 10.1002/qua.25837

By:

Ben Aissa, Mohamed Ali;
Hassen, Sabri;
Arfaoui, Youssef

Publication type:

Article

Porphyrin and phthalocyanine heavy metal removal: overview of theoretical investigation for heterojunction organic solar cell applications.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05659-5

By:

Gara, Rayene;
Zouaghi, Mohamed Oussama;
Arfaoui, Youssef

Publication type:

Article

DFT investigation of solvent, substituent, and catalysis effects on the intramolecular Diels-Alder reaction.

Published in:

Journal of Molecular Modeling, 2021, v. 27, n. 5, p. 1, doi. 10.1007/s00894-021-04729-w

By:

Gara, Rayene;
Zouaghi, Mohamed Oussama;
ALshandoudi, Laila Mohammed Humaid;
Arfaoui, Youssef

Publication type:

Article

Reactivity of pyrazole derivatives with halomethanes: A DFT theoretical study.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3718-4

By:

Chebbi, Monia;
Arfaoui, Youssef

Publication type:

Article

The aid of calorimetry for the thermochemical and kinetic study of the σ-hole bonding leading to I2 and 4-(dimethylamino) pyridine complexes in solution.

Published in:

Journal of Thermal Analysis & Calorimetry, 2023, v. 148, n. 9, p. 3887, doi. 10.1007/s10973-023-11956-1

By:

Antar, Kaїs;
Wacharine, Saoussen;
Zouaghi, Mohamed Oussama;
Arfaoui, Youssef

Publication type:

Article

Diastereoselective Synthesis and Configurational Assignment of Novel Functionalized Cyclic Sulfamidites Precursors of Cyclic Sulfamidates.

Published in:

Heteroatom Chemistry, 2016, v. 27, n. 3, p. 149, doi. 10.1002/hc.21311

By:

Slama, Soumaya;
Arfaoui, Youssef;
Besbes, Rafâa

Publication type:

Article

DFT Study of Regio- and Stereoselective 13DC Reaction between Diazopropane and Substituted Chalcone Derivatives: Molecular Docking of Novel Pyrazole Derivatives as Anti-Alzheimer's Agents.

Published in:

Molecules, 2023, v. 28, n. 4, p. 1899, doi. 10.3390/molecules28041899

By:

Al-Hazmy, Sadeq M.;
Zouaghi, Mohamed Oussama;
Amri, Nasser;
Arfaoui, Youssef;
Alhagri, Ibrahim A.;
Hamdi, Naceur

Publication type:

Article

Chemosensing Properties of Coumarin Derivatives: Promising Agents with Diverse Pharmacological Properties, Docking and DFT Investigation.

Published in:

Molecules, 2022, v. 27, n. 18, p. 5921, doi. 10.3390/molecules27185921

By:

Al-Hazmy, Sadeq M.;
Zouaghi, Mohamed Oussama;
Al-Johani, Jamal N.;
Arfaoui, Youssef;
Al-Ashwal, Rania;
Hammami, Bechir;
Alhagri, Ibrahim A.;
Alhemiary, Nabil A.;
Hamdi, Naceur

Publication type:

Article

HTL-free non-toxic perovskite tandem solar device MAGeI3/FASnI3 with 25.69% efficiency: design and simulation using SCAPS.

Published in:

Journal of Optics (09728821), 2024, v. 53, n. 5, p. 4452, doi. 10.1007/s12596-023-01647-3

By:

El Arfaoui, Youssef;
Khenfouch, Mohammed;
Habiballah, Nabil

Publication type:

Article

DFT and SCAPS-1D calculations of FASnI3-based perovskite solar cell using ZnO as an electron transport layer.

Published in:

European Physical Journal - Applied Physics, 2023, v. 98, p. 1, doi. 10.1051/epjap/2023230099

By:

El Arfaoui, Youssef;
Khenfouch, Mohammed;
Habiballah, Nabil

Publication type:

Article

Stereoselective synthesis of 4-hydroxymethyl-1,3-oxazolidin-2-one derivatives from novel 2-hydroxymethylaziridines.

Published in:

Synthetic Communications, 2018, v. 48, n. 17, p. 2242, doi. 10.1080/00397911.2018.1490771

By:

Ouerfelli, Oussema;
Tabarki, Mohamed Ali;
Pytkowicz, Julien;
Arfaoui, Youssef;
Brigaud, Thierry;
Besbes, Rafâa

Publication type:

Article

Synthese et Etude Conformationnelle Par RMN ( H, C, P) et DFT des Cycloalcoxyphosphinallenes et des Hydrazones β-Cycloalcoxyphosphonatees.

Published in:

Phosphorus, Sulfur & Silicon & the Related Elements, 2013, v. 188, n. 5, p. 609, doi. 10.1080/10426507.2012.700348

By:

Salah, Nessrine;
Arfaoui, Youssef;
Bahri, Mohamed;
Efrit, Mohamed Lotfi;
Akacha, Azaiez Ben

Publication type:

Article

Experimental and theoretical rearrangement of N-acyl-2,2- dimethylaziridines in acidic medium.

Published in:

Journal of Chemical Sciences, 2016, v. 128, n. 2, p. 235, doi. 10.1007/s12039-015-1020-x

By:

MHIRI, MADIHA;
ABOUMESSAAD, FIRAS;
EFRIT, MOHAMED;
ARFAOUI, YOUSSEF;
BESBES, NÉJI

Publication type:

Article

Architecture of a dinuclear Co(II) complex based on 3-amino-1,2,4-triazole-5-carboxylic acid: molecular structure, thermal behavior, optical properties, and DFT calculations.

Published in:

Journal of Coordination Chemistry, 2022, v. 75, n. 7/8, p. 908, doi. 10.1080/00958972.2022.2090246

By:

Hassen, Sabri;
Arfaoui, Youssef;
Robeyns, Koen;
Steenhaut, Timothy;
Filinchuk, Yaroslav;
Klein, Axel;
Chebbi, Hammouda

Publication type:

Article

Synthesis, structural and spectroscopic studies, DFT calculations, thermal characterization and Hirshfeld surface analysis of copper(II) organic-inorganic hybrid material (C12H22N2)[CuCl4].

Published in:

Journal of Coordination Chemistry, 2022, v. 75, n. 1/2, p. 70, doi. 10.1080/00958972.2022.2039642

By:

Feriel, Harzi;
Arfaoui, Youssef;
Silvestru, Cristian;
Bourguiba, Noura Fakhar

Publication type:

Article

Electronic structure and optical properties of isolated and TiO2‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT.

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 29, p. 2530, doi. 10.1002/jcc.26027

By:

Daoudi, Syrine;
Semmeq, Abderrahmane;
Badawi, Michael;
Assfeld, Xavier;
Arfaoui, Youssef;
Pastore, Mariachiara

Publication type:

Article

Chalcogen Noncovalent Interactions between Diazines and Sulfur Oxides in Supramolecular Circular Chains.

Published in:

International Journal of Molecular Sciences, 2024, v. 25, n. 13, p. 7497, doi. 10.3390/ijms25137497

By:

Rahali, Emna;
Noori, Zahra;
Arfaoui, Youssef;
Poater, Jordi

Publication type:

Article

Structural characterization, dielectric properties, optical and theoretical DFT study of (C8H14N2)(BF4)2·H2O compound.

Published in:

Journal of the Iranian Chemical Society, 2021, v. 18, n. 8, p. 2065, doi. 10.1007/s13738-021-02165-4

By:

Haddaoui, Souhir;
Ouerghi, Zeineb;
Arfaoui, Youssef;
Maris, Thierry;
Kefi, Riadh

Publication type:

Article

Synthesis of [MnCl3(H2O)2(Hatz)]·H2O and investigation of its structure via X-ray diffraction, spectroscopic measurements and DFT calculations.

Published in:

Journal of the Iranian Chemical Society, 2018, v. 15, n. 12, p. 2659, doi. 10.1007/s13738-018-1454-4

By:

Hassen, Sabri;
Chebbi, Hammouda;
Zid, Mohamed Faouzi;
Arfaoui, Youssef

Publication type:

Article

New narrow band gap of silicon-based perovskite FASiI3 for photovoltaic applications: first principle investigations of the structural, electronic and optical properties.

Published in:

European Physical Journal B: Condensed Matter, 2024, v. 97, n. 2, p. 1, doi. 10.1140/epjb/s10051-024-00655-x

By:

El Arfaoui, Youssef;
Khenfouch, Mohammed;
Habiballah, Nabil

Publication type:

Article

A DFT and Time-dependent DFT Investigation of the Structural, Electronic and Optical Properties of Lead-free FAMgI3 Perovskite for Photovoltaic Applications.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 2, p. 881, doi. 10.1007/s11664-023-10801-3

By:

El Arfaoui, Youssef;
Khenfouch, Mohammed;
Habiballah, Nabil

Publication type:

Article

Spin–Orbit Coupling Effect Bandgaps Engineering of the Lead‐Free Perovskites FABI3 (B = Sn or Ge) Materials for Tandem Solar Cells: First Principle Investigation of Structural and Electronic Properties.

Published in:

Physica Status Solidi (B), 2024, v. 261, n. 10, p. 1, doi. 10.1002/pssb.202400217

By:

El Arfaoui, Youssef;
Khenfouch, Mohammed;
Habiballah, Nabil

Publication type:

Article

Theoretical investigations on the mechanistic pathway of the thermal rearrangement of substituted N-acyl-2,2-dimethylaziridines.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 10, p. 4603, doi. 10.1007/s00894-013-1959-9

By:

Arfaoui, Youssef;
Efrit, Mohamed;
Besbes, Néji

Publication type:

Article

Mechanistic Study of the Carbonylation of Aziridines to β‐Lactams: Alkylation, Solvent and Molecular NaBr and MgO Clusters Catalysts Effects.

Published in:

Journal of Computational Chemistry, 2025, v. 46, n. 5, p. 1, doi. 10.1002/jcc.70061

By:

Jendoubi, Abir;
Zouaghi, Mohamed Oussama;
Arfaoui, Youssef;
Guégan, Frédéric;
Al‐Mogren, Muneerah Mogren;
Hochlaf, Majdi

Publication type:

Article

Density Functional Theory (DFT) and Time‐Dependent DFT (TDDFT) Studies of Porphyrin Adsorption on Graphene: Insights on the Effect of Substituents and Central Metal on Adsorption Energies.

Published in:

Journal of Computational Chemistry, 2025, v. 46, n. 1, p. 1, doi. 10.1002/jcc.27526

By:

Gara, Rayene;
Morales‐García, Ángel;
Arfaoui, Youssef;
Illas, Francesc

Publication type:

Article

DFT mechanistic study of the chemical fixation of CO2 by aziridine derivatives.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 9, p. 563, doi. 10.1002/jcc.27270

By:

Jendoubi, Abir;
Arfaoui, Youssef;
Palaudoux, Jérôme;
Al‐Mogren, Muneerah Mogren;
Hochlaf, Majdi

Publication type:

Article

σ‐Hole intermolecular interactions between carbon oxides and dihalogens: Ab‐initio investigations.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 15, p. 1426, doi. 10.1002/jcc.27098

By:

Rahali, Emna;
Oussama Zouaghi, Mohamed;
Sanz, Javier Fernandez;
Raouafi, Noureddine;
Arfaoui, Youssef

Publication type:

Article

Works by Arfaoui, Youssef

A convenient synthesis of alkyl-2-(2-imino-4-oxothiazolidin-5-ylidene)acetate derivatives involving an electrogenerated base of acetonitrile.

Electrogenerated base-promoted synthesis and antimicrobial activity of 2-imino-1,3-thiazolidin-4-one derivatives.

Silver–N‐heterocyclic carbene complexes‐catalyzed multicomponent reactions: Synthesis, spectroscopic characterization, density functional theory calculations, and antibacterial study.

Theoretical Density Functional Theory insights into the nature of chalcogen bonding between CX<sub>2</sub> (X = S, Se, Te) and diazine from monomer to supramolecular complexes.

Porphyrin and phthalocyanine heavy metal removal: overview of theoretical investigation for heterojunction organic solar cell applications.

DFT investigation of solvent, substituent, and catalysis effects on the intramolecular Diels-Alder reaction.

Reactivity of pyrazole derivatives with halomethanes: A DFT theoretical study.

The aid of calorimetry for the thermochemical and kinetic study of the σ-hole bonding leading to I<sub>2</sub> and 4-(dimethylamino) pyridine complexes in solution.

Diastereoselective Synthesis and Configurational Assignment of Novel Functionalized Cyclic Sulfamidites Precursors of Cyclic Sulfamidates.

DFT Study of Regio- and Stereoselective 13DC Reaction between Diazopropane and Substituted Chalcone Derivatives: Molecular Docking of Novel Pyrazole Derivatives as Anti-Alzheimer's Agents.

Chemosensing Properties of Coumarin Derivatives: Promising Agents with Diverse Pharmacological Properties, Docking and DFT Investigation.

HTL-free non-toxic perovskite tandem solar device MAGeI3/FASnI3 with 25.69% efficiency: design and simulation using SCAPS.

DFT and SCAPS-1D calculations of FASnI<sub>3</sub>-based perovskite solar cell using ZnO as an electron transport layer.

Stereoselective synthesis of 4-hydroxymethyl-1,3-oxazolidin-2-one derivatives from novel 2-hydroxymethylaziridines.

Synthese et Etude Conformationnelle Par RMN ( H, C, P) et DFT des Cycloalcoxyphosphinallenes et des Hydrazones β-Cycloalcoxyphosphonatees.

Experimental and theoretical rearrangement of N-acyl-2,2- dimethylaziridines in acidic medium.

Architecture of a dinuclear Co(II) complex based on 3-amino-1,2,4-triazole-5-carboxylic acid: molecular structure, thermal behavior, optical properties, and DFT calculations.

Synthesis, structural and spectroscopic studies, DFT calculations, thermal characterization and Hirshfeld surface analysis of copper(II) organic-inorganic hybrid material (C<sub>12</sub>H<sub>22</sub>N<sub>2</sub>)[CuCl<sub>4</sub>].

Electronic structure and optical properties of isolated and TiO<sub>2</sub>‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT.

Chalcogen Noncovalent Interactions between Diazines and Sulfur Oxides in Supramolecular Circular Chains.

Structural characterization, dielectric properties, optical and theoretical DFT study of (C8H14N2)(BF4)2·H2O compound.

Synthesis of [MnCl<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(Hatz)]·H<sub>2</sub>O and investigation of its structure via X-ray diffraction, spectroscopic measurements and DFT calculations.

New narrow band gap of silicon-based perovskite FASiI3 for photovoltaic applications: first principle investigations of the structural, electronic and optical properties.

A DFT and Time-dependent DFT Investigation of the Structural, Electronic and Optical Properties of Lead-free FAMgI<sub>3</sub> Perovskite for Photovoltaic Applications.

Spin–Orbit Coupling Effect Bandgaps Engineering of the Lead‐Free Perovskites FABI3 (B = Sn or Ge) Materials for Tandem Solar Cells: First Principle Investigation of Structural and Electronic Properties.

Theoretical investigations on the mechanistic pathway of the thermal rearrangement of substituted N-acyl-2,2-dimethylaziridines.

Mechanistic Study of the Carbonylation of Aziridines to β‐Lactams: Alkylation, Solvent and Molecular NaBr and MgO Clusters Catalysts Effects.

Density Functional Theory (DFT) and Time‐Dependent DFT (TDDFT) Studies of Porphyrin Adsorption on Graphene: Insights on the Effect of Substituents and Central Metal on Adsorption Energies.

DFT mechanistic study of the chemical fixation of CO<sub>2</sub> by aziridine derivatives.

σ‐Hole intermolecular interactions between carbon oxides and dihalogens: Ab‐initio investigations.