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Youssef Arfaoui

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Journal Articles

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2025
[j4]
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  dblp key:
  - journals/jcc/GaraMAI25
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  - https://dblp.org/rec/journals/jcc/GaraMAI25
Rayene Gara, Ángel Morales-García, Youssef Arfaoui, Francesc Illas:
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. J. Comput. Chem. 46(1) (2025)
2024
[j3]
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  - journals/jcc/JendoubiAPAH24
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Abir Jendoubi, Youssef Arfaoui, Jérôme Palaudoux, Muneerah Mogren Al-Mogren, Majdi Hochlaf:
DFT mechanistic study of the chemical fixation of CO₂ by aziridine derivatives. J. Comput. Chem. 45(9): 563-573 (2024)
2023
[j2]
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  - journals/jcc/RahaliZSRA23
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Emna Rahali, Mohamed Oussama Zouaghi, Javier Fernández Sanz, Noureddine Raouafi, Youssef Arfaoui:
σ-Hole intermolecular interactions between carbon oxides and dihalogens: Ab-initio investigations. J. Comput. Chem. 44(15): 1426-1436 (2023)
2019
[j1]
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Syrine Daoudi, Abderrahmane Semmeq, Michael Badawi, Xavier Assfeld, Youssef Arfaoui, Mariachiara Pastore:
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. J. Comput. Chem. 40(29): 2530-2538 (2019)

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