A. Malloum

发表

Solvation energies of the proton in methanol revisited and temperature effects.

J. Conradie, A. Malloum, J. J. Fifen, 2018, Physical chemistry chemical physics : PCCP.

Solvation energies of the proton in ammonia explicitly versus temperature.

A. Malloum, J. J. Fifen, Z. Dhaouadi, 2017, The Journal of chemical physics.

Structures of solvated ferrous ion clusters in ammonia and spin-crossover at various temperatures

J. Conradie, O. Boukar, A. Malloum, 2019, New Journal of Chemistry.

Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions

A. Malloum, J. J. Fifen, N. Jaidane, 2020, Theoretical Chemistry Accounts.

Structures, relative stability and binding energies of neutral water clusters, (H2O)2–30

J. Conradie, A. Malloum, J. J. Fifen, 2019, New Journal of Chemistry.

A general review on the use of advance oxidation and adsorption processes for the removal of furfural from industrial effluents

Zainab T. Al-Sharify, T. Miri, Helen Onyeaka, 2021, Microporous and Mesoporous Materials.

Water-ammonia and water-acetonitrile proton transfer free energy

J. Conradie, A. Malloum, 2020 .

Perhalogenation and Percyanation of Coronene for Characterization of the New Efficient Organic Semiconductors for Charge Transport

J. Ndjaka, J. Conradie, A. Malloum, 2021 .

Solvation free energy of the proton in acetonitrile

A. Malloum, J. Conradie, Alhadji Malloum, 2021, Journal of Molecular Liquids.

Structures of water clusters in the solvent phase and relative stability compared to gas phase

J. Conradie, A. Malloum, 2021 .

Solvent effects on the structures of the neutral ammonia clusters

J. Conradie, A. Malloum, 2020 .

Structures of the solvated copper(ii) ion in ammonia at various temperatures

J. Conradie, S. Lahmar, M. Nsangou, 2020 .

The effects of water ageing on the tensile static and fatigue behaviors of greenpoxy–flax fiber composites

A. Malloum, A. E. Mahi, M. Idriss, 2019, Journal of Composite Materials.

Free energy and enthalpy data of neutral and protonated clusters in the solvent phase

J. Conradie, A. Malloum, 2021, Data in brief.

Removal of mercury from industrial effluents by adsorption and advanced oxidation processes: A comprehensive review

Suhas, Zainab T. Al-Sharify, Helen Onyeaka, 2022, Journal of Molecular Liquids.

Exploration of the potential energy surfaces of small ethanol clusters.

J. Conradie, A. Malloum, J. J. Fifen, 2020, Physical chemistry chemical physics : PCCP.

Comparative study of electronic, optoelectronic, optical, and thermodynamic properties of two ovalene molecules and their derivatives functionalized with potassium and chlorine atoms

A. Malloum, F. Tchangnwa Nya, J. Conradie, 2022, Polymer Bulletin.

Enhancement of absorption capacity, optical and non-linear optical properties of graphene oxide nanosheet

J. Conradie, A. Malloum, F. Tchangnwa Nya, 2021, Journal of Molecular Graphics and Modelling.

Molecular simulations of the adsorption of aniline from waste-water.

A. Malloum, J. Conradie, 2022, Journal of molecular graphics & modelling.

DFT investigation of Percyanation effect of coronene molecule: Comparative study with their Perhalogenated counterparts.

J. Ndjaka, J. Conradie, A. Malloum, 2021, Polymer Bulletin.

Hydrogen bond networks of dimethylsulfoxide (DMSO) pentamer.

A. Malloum, J. Conradie, Alhadji Malloum, 2022, Journal of molecular graphics & modelling.

Nanotechnology as a tool for abiotic stress mitigation in horticultural crops

S. S. Alkafaas, A. Malloum, Ibrahim M. Abdelsalam, 2022, Biologia.

Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom

A. Malloum, F. T. Nya, J. Conradie, 2022, Data in brief.

Beryllium ion coordination in Ammonia, Methanol and Water solvents

N. Russo, M. Toscano, S. Lahmar, 2022, Journal of Molecular Liquids.

Structures and spectroscopy of protonated ammonia clusters at different temperatures.

A. Malloum, J. J. Fifen, Z. Dhaouadi, 2016, Physical chemistry chemical physics : PCCP.

Adsorption free energy of phenol onto coronene: Solvent and temperature effects.

A. Malloum, J. Conradie, 2022, Journal of molecular graphics & modelling.

Global and local minima of protonated acetonitrile clusters

J. Conradie, A. Malloum, Alhadji Malloum, 2020 .

Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20.

J. Conradie, A. Malloum, J. J. Fifen, 2018, The Journal of chemical physics.

Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10-16.

A. Malloum, J. J. Fifen, Z. Dhaouadi, 2017, The Journal of chemical physics.

Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio.

A. Malloum, J. J. Fifen, Z. Dhaouadi, 2015, Physical chemistry chemical physics : PCCP.

Proton transfer free energy and enthalpy from water to methanol

J. Conradie, A. Malloum, 2021 .

Sustainable Technologies for the Removal of Chloramphenicol from Pharmaceutical Industries Effluent: A critical review

Suhas, I. Tyagi, S. Nasseri, 2022, Journal of Molecular Liquids.

Data to understand the nature of non-covalent interactions in the thiophene clusters

J. Conradie, A. Malloum, Alhadji Malloum, 2022, Data in brief.

Influence of zinc and copper on the electronic, linear, and nonlinear optical properties of organometallic complexes with phenalenyl radical: a computational study

J. Ndjaka, J. Conradie, A. Malloum, 2020, Structural Chemistry.

Optoelectrical, electronic, and thermodynamic DFT study of a carbon nanoring and its derivative: application as active layer material in organic solar cell performance improvement and nonlinear optics

A. Malloum, F. Tchangnwa Nya, Guy Maurel Dzifack Kenfack, 2022, Journal of Molecular Modeling.

Modeling the Liquid-Phase Adsorption of Cephalexin onto Coated Iron Nanoparticles Using Response Surface and Molecular Modeling

Chinenye Adaobi Igwegbe, A. Malloum, L. Mohammadi, 2022, Adsorption Science & Technology.

Recent progress on the remediation of metronidazole antibiotic as emerging contaminant from water environments using sustainable adsorbents: A review

Suhas, S. S. Alkafaas, A. Mahvi, 2023, Journal of Water Process Engineering.

Dimethylformamide clusters: non-covalent bondings, structures and temperature-dependence

A. Malloum, J. Conradie, Alhadji Malloum, 2022, Molecular Physics.

Unraveling the sequence of electron flow along the cyclocondensation reaction between ciprofloxacin and thiosemicarbazide through the bonding evolution theory.

A. Malloum, A. I. Adjieufack, Auguste Abouem à Zintchem, 2022, Journal of molecular graphics & modelling.

Solvation of Manganese(III) Ion in Water and in Ammonia.

A. Malloum, J. Conradie, 2023, The journal of physical chemistry. A.

New generation adsorbents for the removal of fluoride from water and wastewater: A review

A. Malloum, Soumya Ghosh, Ö. Gökkuş, 2021, Journal of Molecular Liquids.

Microsolvation of phenol in water: structures, hydration free energy and enthalpy

A. Malloum, J. Conradie, 2023, Molecular Simulation.

Theoretical infrared spectrum of the ethanol hexamer

J. Conradie, A. Malloum, J. J. Fifen, 2020 .

Hydrogen bond networks of ammonia clusters: What we know and what we don’t know

J. Conradie, A. Malloum, Alhadji Malloum, 2021 .

Accurate binding energies of ammonia clusters and benchmarking of hybrid DFT functionals

J. Conradie, A. Malloum, 2021 .

Determination of the absolute solvation free energy and enthalpy of the proton in solutions

A. Malloum, J. J. Fifen, J. Conradie, 2021 .

Binding energies and isomer distribution of neutral acetonitrile clusters

J. Conradie, A. Malloum, J. J. Fifen, 2020 .

Large‐Sized Ammonia Clusters and Solvation Energies of the Proton in Ammonia

Alhadji Malloum, Jeanet Conradie, Jean J Fifen, 2020, J. Comput. Chem..

Structures and infrared spectroscopy of large sized protonated ammonia clusters.

J. Conradie, A. Malloum, J. J. Fifen, 2018, The Journal of chemical physics.

Dyes adsorption from aqueous media through the nanotechnology: A review

Soumya Ghosh, A. Malloum, S. Ahmadi, 2021, Journal of Materials Research and Technology.

Structures, binding energies and temperature effects in $$ \left[ {{\text{Mg}}\left( {{\text{NH}}_{3} } \right)_{n = 1 - 10} } \right]^{2 + } $$MgNH3n=1-102+ clusters

N. Russo, A. Malloum, J. J. Fifen, 2019, Theoretical Chemistry Accounts.

Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3)n = 1−10]+ clusters from DFT and MP2 investigations

Nino Russo, Emilia Sicilia, Souad Lahmar, 2019, J. Comput. Chem..

Solvation energies of ferrous ion in methanol at various temperatures

M. Nsangou, A. Malloum, J. J. Fifen, 2022, Journal of Molecular Liquids.

Exploration of the potential energy surface of the ethanol hexamer.

J. Conradie, A. Malloum, J. J. Fifen, 2019, The Journal of chemical physics.

Non-Covalent Interactions in Dimethylsulfoxide (DMSO) Clusters and DFT Benchmarking

A. Malloum, J. Conradie, Alhadji Malloum, 2022, Journal of Molecular Liquids.

Non-Covalent Interactions in Small Thiophene Clusters

A. Malloum, J. Conradie, Alhadji Malloum, 2021, Journal of Molecular Liquids.

Structures, binding energies and non-covalent interactions of furan clusters.

A. Malloum, J. Conradie, Alhadji Malloum, 2021, Journal of molecular graphics & modelling.

Potential energy surface of the thiophene pentamer and non‐covalent interactions

J. Conradie, A. Malloum, Alhadji Malloum, 2021, International Journal of Quantum Chemistry.

A. Malloum, F. Tchangnwa Nya, Guy Maurel Dzifack Kenfack, 2022, Journal of Molecular Modeling.

DFT study of the influence of impurities on the structural, electronic, optoelectronic, and nonlinear optical properties of graphene nanosheet functionalized by the carboxyl group –COOH

J. Ndjaka, J. Conradie, A. Malloum, 2020, Journal of Molecular Modeling.

DFT study of new organic materials based on PEDOT and 4-[2-(2-N, N-dihydroxy amino thiophene) vinyl] benzenamine

J. Ndjaka, J. Conradie, A. Malloum, 2021, Journal of Molecular Modeling.

A review on bioelectrochemical systems for emerging pollutants remediation: A computational approaches

Artur Banach, A. Malloum, S. Ahmadi, 2023, Journal of Environmental Chemical Engineering.

Biochar from coconut residues: An overview of production, properties, and applications

K. Oyedotun, K. Akpomie, A. Malloum, 2023, Industrial Crops and Products.

UiO-66-based metal-organic frameworks for CO2 catalytic conversion, adsorption and separation

K. Oyedotun, K. Akpomie, A. Malloum, 2023, Separation and Purification Technology.

Recent advances on sustainable adsorbents for the remediation of noxious pollutants from water and wastewater: A critical review

A. Malloum, Ö. Gökkuş, S. Ahmadi, 2023, Arabian Journal of Chemistry.

Computational Methods for Adsorption Study in Wastewater Treatment

K. Oyedotun, K. Akpomie, A. Malloum, 2023, Journal of Molecular Liquids.

Structures of DMSO clusters and quantum cluster equilibrium (QCE).

A. Malloum, J. Conradie, Alhadji Malloum, 2023, Journal of molecular graphics & modelling.

Quantum cluster equilibrium prediction of liquid ethanol

A. Malloum, Z. Dhaouadi, J. Conradie, 2023, Journal of Molecular Liquids.

A review on ciprofloxacin removal from wastewater as a pharmaceutical contaminant: Covering adsorption to advanced oxidation processes to computational studies

S. S. Alkafaas, Helen Onyeaka, A. Malloum, 2023, Materials Today Communications.

Spectroscopic properties (FT-IR, NMR and UV) and DFT studies of amodiaquine

A. Malloum, I. Patouossa, C. P. Nanseu, 2023, Heliyon.