Publications by authors named "Asmae Fitri"

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Computational Analysis of Triazolone-Based Dyes in DSSCs: Exploring Acceptor Terminal for Enhanced Photovoltaic Performance.
Hanane Etabti, Mohammed Er-Rajy, Asmae Fitri, Arunkumar Ammasi, Mohd Shkir

J Fluoresc· October 2025

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Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design.
Hanine Hadni, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

J Biomol Struct Dyn· September 2024

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Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation.
Amal Roua, Anouar Ameziane El Hassani, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour

J Mol Model· May 2024

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Computational studies of the influence of auxiliary acceptors in the D-A'-π-A structure of organic dyes on the photovoltaic performance of dye solar cells.
Omar Britel, Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour

J Mol Model· February 2024

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A theoretical study on the role of the π-spacer in the thoughtful design of good light-absorbing dyes with phenothiazine for efficient dye-sensitized solar cells (DSSCs).
Yassir Sekkat, Asmae Fitri, Omar Britel, Adil Touimi Benjelloun, Mohammed Benzakour

J Mol Model· December 2023

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Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs.
Yassir Bouzineb, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

J Mol Model· November 2023

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Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis.
Mouna El Khabchi, Mohammed Mcharfi, Mohammed Benzakour, Asmae Fitri, Adil Touimi Benjelloun

Molecules· July 2023

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Designing and theoretical study of benzocarbazole-based D-π-D type small molecules donor for organic solar cells.
Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

J Mol Graph Model· June 2023

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Designing and Theoretical Study of Dibenzocarbazole Derivatives Based Hole Transport Materials: Application for Perovskite Solar Cells.
Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

J Fluoresc· May 2023

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Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications.
Omar Britel, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

J Mol Model· October 2022

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Conformational preferences of Ac-Pro-azaXaa-NHMe (Xaa = Asn, Asp, Ala) and the effect of intramolecular hydrogen bonds on their stability in gas phase and solution.
Mouna El Khabchi, Hiba Lahlou, Zineb El Adnani, Mohammed Mcharfi, Mohammed Benzakour, Asmae Fitri

J Mol Model· December 2021

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Theoretical study of organic sensitizers based on 2, 6-diphenyl-4H-pyranylidene/1, 3, 4-oxadiazole for dye-sensitized solar cells.
Yassir Bouzineb, Ahmed Slimi, Marzouk Raftani, Asmae Fitri, Adil Touimi Benjelloun

J Mol Model· November 2020

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Theoretical design of thiazolothiazole-based organic dyes with different electron donors for dye-sensitized solar cells.
Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi, Mohammed Hamidi

Spectrochim Acta A Mol Biomol Spectrosc· November 2014

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Theoretical investigation of new thiazolothiazole-based D-π-A organic dyes for efficient dye-sensitized solar cell.
Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi, Mohammed Hamidi

Spectrochim Acta A Mol Biomol Spectrosc· April 2014

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