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Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights
Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights
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Stability, spectroscopic, electrochemistry and QTAIM analysis of Cu-Znn−1On clusters for glucose sensing application: A study on theoretical and experimental insights

Gassoumi, B. ; Dlala, N. Aouled ; Echabaane, M. ; Karayel, A. ; Özkınalı, S. ; Castro, M.E. ; Melendez, F.J. ; Ghalla, H. ; Nouar, L. ; Madi, F. ; Chaabane, R. Ben

Heliyon, 2022-12, Vol.8 (12), p.e12387-e12387, Article e12387 [Periódico revisado por pares]

Elsevier Ltd

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2
Theoretical prediction of relative and absolute pKa values of aminopyridines
Theoretical prediction of relative and absolute pKa values of aminopyridines
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Theoretical prediction of relative and absolute pKa values of aminopyridines

Caballero, N A ; Melendez, F J ; Muñoz-Caro, C ; Niño, A

Biophysical chemistry, 2006-11, Vol.124 (2), p.155-160 [Periódico revisado por pares]

Netherlands

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3
Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation
Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation
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Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of Calix [4]quinone: A DFT-D3 computation

Gassoumi, B. ; Mehri, A. ; Hammami, H. ; Castro, M.E. ; Karayel, A. ; Özkınalı, S. ; Melendez, F.J. ; Nouar, L. ; Madi, F. ; Ghalla, H. ; Chaabane, R. Ben ; Ben Ouada, H.

Materials chemistry and physics, 2022-02, Vol.278, p.125555, Article 125555 [Periódico revisado por pares]

Lausanne: Elsevier B.V

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4
Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations
Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations
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Azo-methoxy-calix[4]arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT- computations

Gassoumi, B. ; Echabaane, M. ; Ben Mohamed, F.E. ; Nouar, L. ; Madi, F. ; Karayel, A. ; Ghalla, H. ; Castro, M.E. ; Melendez, F.J. ; Özkınalı, S. ; Rouis, A. ; Ben. Chaabane, R.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-01, Vol.264, p.120242, Article 120242 [Periódico revisado por pares]

Elsevier B.V

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5
Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis
Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis
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Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

Gassoumi, B. ; Ahmed Mahmoud, A.M. ; Nasr, S. ; Karayel, A. ; Özkınalı, S. ; Castro, M.E. ; Melendez, F.J. ; Mahdouani, M. ; Nouar, L. ; Madi, F. ; Ghalla, H. ; Bourguiga, R. ; Ben Chaabane, R. ; Zhou, Y.

Materials chemistry and physics, 2023-11, Vol.309, p.128364, Article 128364 [Periódico revisado por pares]

Elsevier B.V

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6
Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling
Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling
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Synthesis of ultramicroporous zeolitic imidazolate framework ZIF-8 via solid state method using a minimum amount of deionized water for high greenhouse gas adsorption: A computational modeling

Belgacem, C.H. ; Missaoui, N. ; Khalafalla, M.A.H. ; Bouzid, G. ; Kahri, H. ; Bashal, A.H. ; Dhahri, A. ; Nouar, L. ; Melendez, F.J. ; Castro, M.E. ; Ghalla, H. ; Zhou, Y.

Journal of environmental chemical engineering, 2024-04, Vol.12 (2), p.112086, Article 112086 [Periódico revisado por pares]

Elsevier Ltd

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7
In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model
In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model
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In silico exploration of O-H…X2+ (X = Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, O-H proton analysis and topographic parameters theory for calix[6]arene and calix[8]arene as model

Gassoumi, B. ; Ben Mohamed, F.E. ; Castro, M.E. ; Melendez, F.J. ; Karayel, A. ; Nouar, L. ; Madi, F. ; Ghalla, H. ; Özkınalı, S. ; Kovalenko, V.I. ; Ben Chaabane, R. ; Ben Ouada, H.

Journal of molecular liquids, 2021-07, Vol.334, p.116127, Article 116127 [Periódico revisado por pares]

Elsevier B.V

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8
Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety
Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety
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Green emission band induced by crystal defects in halogenated (-Br, -Cl, -F) chiral imines with a benzo[b]thiophene-based moiety

Anzaldo Olivares, B. ; Moreno, O. Portillo ; Téllez, G. Hernández ; Rosas, E. Rubio ; Bustamante, F.J. Meléndez ; Castro Sánchez, M.E. ; Sharma, P. ; Mendoza, A. ; Pérez, R. Gutiérrez

Optical materials, 2019-08, Vol.94, p.337-347 [Periódico revisado por pares]

Elsevier B.V

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9
Corrigendum to “Green emission band induced by crystal defects in halogenated (-Br, -Cl, –F) chiral imines with a benzo[b]thiophene-based moiety “[Opt. Mater. 94 (2019) 337–347]
Corrigendum to “Green emission band induced by crystal defects in halogenated (-Br, -Cl, –F) chiral imines with a benzo[b]thiophene-based moiety “[Opt. Mater. 94 (2019) 337–347]
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Corrigendum to “Green emission band induced by crystal defects in halogenated (-Br, -Cl, –F) chiral imines with a benzo[b]thiophene-based moiety “[Opt. Mater. 94 (2019) 337–347]

Olivares, B. Anzaldo ; Moreno, O. Portillo ; Téllez, G. Hernández ; Rosas, E. Rubio ; Bustamante, F.J. Meléndez ; Sánchez, M.E. Castro ; Sharma, P. ; Pérez, R. Gutiérrez

Optical materials, 2020-01, Vol.99, p.109628, Article 109628 [Periódico revisado por pares]

Elsevier B.V

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10
Theoretical prediction of relative and absolute p K a values of aminopyridines
Theoretical prediction of relative and absolute p K a values of aminopyridines
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Theoretical prediction of relative and absolute p K a values of aminopyridines

Caballero, N.A. ; Melendez, F.J. ; Muñoz-Caro, C. ; Niño, A.

Biophysical chemistry, 2006, Vol.124 (2), p.155-160 [Periódico revisado por pares]

Elsevier B.V

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