Synergetic influence between adsorption and photodegradation of Rhodamine B using synthesized fly ash based inorganic polymer

Marouane El Alouani, Saliha Alehyen, Hamza El Hadki, +4

Surfaces and Interfaces

Chemical EngineeringRhodamine BEngineeringSynergetic InfluenceChemisorption +6

Removal of oxytetracycline by graphene oxide and Boron-doped reduced graphene oxide: A combined density function Theory, molecular dynamics simulation and experimental study

Ahmed El Hadki, Kubra Ulucan‐Altuntas, Hamza El Hadki, +6

FlatChem

Materials ScienceGraphene OxideGraphene NanomeshesGraphene Quantum DotEngineering +8

Molecular geometry and vibrational studies of 3,5-diamino-1,2,4-triazole using quantum chemical calculations and FT-IR and FT-Raman spectroscopies

L. Guennoun, J. El jastimi, F. Guédira, +4

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

Ft-raman SpectroscopiesMolecular SpectroscopyMolecular GeometryNatural SciencesSpectroscopy +6

Removal of the Amoxicillin antibiotic from aqueous matrices by means of an adsorption process using Kaolinite clay

Laila El Azzouzi, Sanaa El Aggadi, Mariem Ennouhi, +3

Scientific African

EngineeringAdsorption MechanismsAdsorption ProcessBio-based SorbentChemical Contaminant +16

A density functional study of alizarin two of its isomers and its transition metals and rare-earth complexes

Najia Komiha, Oum Keltoum Kabbaj, M. Chraïbi

Journal of Molecular Structure THEOCHEM

Inorganic ChemistryDensity Functional StudyEngineeringBiochemistryNatural Sciences +7

Theoretical study of the 1,3-DC reaction between fluorinated alkynes and azides: Reactivity indices, transition structures, IGM and ELF analysis

Mohammed Salah, Abdellah Zeroual, Souad Jorio, +4

Journal of Molecular Graphics and Modelling

Chemical EngineeringCross-coupling ReactionEngineeringElf AnalysisReactivity Indices +7

The photophysical properties and electronic structures of bis[1]benzothieno[6,7-<i>d</i>:6′,7′-<i>d</i>′]benzo[1,2-<i>b</i>:4,5-<i>b</i>′]dithiophene (BBTBDT) derivatives as hole-transporting materials for organic light-emitting diodes (OLEDs)

Mohamed Bourass, Najia Komiha, Oum Keltoum Kabbaj, +3

New Journal of Chemistry

Optical MaterialsEngineeringOrganic ElectronicsOrganic ChemistryOptoelectronic Devices +22

SN2 reactions as two-state problems: diabatic MO-CI calculations on lithium (Li3-, Li2H-) and chlorine (Cl3-, ClCH3Cl-)

Oum Keltoum Kabbaj, Marie-Bernadette Lepetit, J. P. Malrieu, +2

Journal of the American Chemical Society

EngineeringChemical AnalysisTheoretical Inorganic ChemistryAltmetric Attention ScoreOrganic Chemistry +15

Ab initio and DFT studies on the mechanism of the 1,3-dipolar cycloaddition reaction between nitrone and sulfonylethene chloride

Khadija Marakchi, Oum Keltoum Kabbaj, Najia Komiha, +2

Journal of Molecular Structure THEOCHEM

HeterocyclicBiochemistryNatural SciencesAb Initio1,3-Dipolar Cycloaddition Reaction +6

Instability versus bistability in electron-transfer problems: the conflict between electronic or nuclear relaxation and electronic delocalization

Gérard Durand, Oum Keltoum Kabbaj, Marie-Bernadette Lepetit, +1

The Journal of Physical Chemistry

EngineeringAltmetric Attention ScoreChemistryElectronic StructureCharge Transport +15