الرئيسية › دليل الباحثين › Mohammed Mcharfi
Mohammed Mcharfi
الانتماء : Sidi Mohamed Ben Abdellah University
- 69منشورات (انتماء مغربي)
- 82مجموع المنشورات
- 2276الاستشهادات
- 28مؤشر h
الملف البحثي
لدى Mohammed Mcharfi 69 منشور(ات) مفهرسة (2004–2026). تُنشر أعماله أساسًا في «Journal of Molecular Modeling»، «Research on Chemical Intermediates» و«Journal of Photochemistry and Photobiology A Chemistry». أكثر مقالاته استشهادًا هو «DFT theoretical study of 7-R-3methylquinoxalin-2(1H)-thiones (RH; CH3; Cl) as corrosion inhibitors in hydrochloric acid» (2012)، وقد استُشهد به 295 مرة. 16 من هذه المنشورات تعود إلى آخر ثلاث سنوات من النشاط. شارك في تأليف أعماله 12 باحثًا على الأقل، منهم باحثون من مؤسسات في السعودية.
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إنشاء ملفي المجاني إضافة منشوراتيمجالات البحث
- Photochemistry and Electron Transfer Studies
- TiO2 Photocatalysis and Solar Cells
- Organic Electronics and Photovoltaics
- Advanced Chemical Physics Studies
- Organic Light-Emitting Diodes Research
المنشورات (69)
- Theoretical Investigation of the Spectroscopy and Electronic Structure of Group 12 Metal Carbides and Nitrides
- Electronic structure, spectroscopic and thermochemical analysis of group 12 (Zn, Cd, Hg) mononitrides: A DFT/CCSD(T) comparison of MN, MN+ and MN− species
- Investigation of the influence of π-conjugated bridge on photovoltaic parameters in A 2 - π 2 -D- π 1 - A 1 dye sensitizers for efficient DSSCs
- Computational Analysis of Triazolone-Based Dyes in DSSCs: Exploring Acceptor Terminal for Enhanced Photovoltaic Performance
- Theoretical investigation of organic dyes for dye-sensitized solar cell applications: effect of auxiliary acceptor groups
- Density functional theory and molecular dynamics analysis of oxadiazole derivatives as corrosion inhibitors in hydrochloric acid media (HCl)
- Spectroscopic and Piezoelectric Characterization of Group 12 Diatomic Species: A DFT and CCSD(T) Study
- Advancing optoelectronic performance of organic and perovskite photovoltaics: computational modeling of hole transport material based on end-capped dibenzocarbazole molecules
- A DFT/TD-DFT Study of the Influence of Anchoring Group and Internal Acceptor of Benzocarbazole-based D-A´-π-A Dyes for DSSCs
- 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
- Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation
- Computational study of new small molecules D-A based on triphenylamines for bulk heterojunction solar cells (BHJ)
- The effect of structural modification of novel D-π-A-π-D molecules on their performance as donors in bulk heterojunction solar cells: Theoretical investigation
- The effect of the introduction of internal acceptor and the variation of π-spacer groups in carbazole-based organic dyes on the photovoltaic performance of dye-sensitized solar cells: a DFT study
- DFT/TDDFT Investigation of the Effect of Electron Acceptor Groups on Photovoltaic Performance Using Phenothiazine‐Based D‐Ai‐π‐A Dyes for DSSC Applications
- Computational Study of the Effect of Changing the Auxiliary Acceptor in D-A-π-A Structure Dyes on the Optoelectronic Properties of Dye-Sensitized Solar Cells (DSSCs)
- Designing and theoretical study of benzocarbazole-based D-π-D type small molecules donor for organic solar cells
- Designing and Theoretical Study of Dibenzocarbazole Derivatives Based Hole Transport Materials: Application for Perovskite Solar Cells
- New carbazole-based dyes for efficient dye-sensitized solar cells: a DFT insight
- Efficient tuning of various coumarin based donor dyes with diketopyrrolopyrrole by forming D-A′-π-A structure for high-efficiency solar cells: A DFT/ TD-DFT study
- Theoretical investigation of the effect of changing the auxiliary acceptor on the performance of organic D-A'-A dyes used as sensitizers in DSSCs
- Identification of terpenoids as potential inhibitors of SARS-CoV-2 (main protease) and spike (RBD) via computer-aided drug design
- 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)
- Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis
- Computational study of new pyranylidene-based D-π-A-A dyes: Effect of the change of the auxiliary acceptor
- Theoretical design of new carbazole based organic dyes for DSSCs applications. A DFT/TD-DFT insight
- Theoretical investigation of the influence of π-spacer on photovoltaic performances in carbazole-based dyes for dye-sensitized solar cells applications
- DFT, DFTB and TD-DFT theoretical investigations of π-conjugated molecules based on thieno[2,3-b] indole for dye-sensitized solar cell applications
- Carbazole based D-πi-π-A dyes for DSSC applications: DFT/TDDFT study of the influence of πi-spacers on the photovoltaic performance
- A strategy to enhance V OC of π-conjugated molecules based on thieno[2,3- b ] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR modeling studies
- Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations
- Effects of the terminal donor unit on the photovoltaic parameters of benzocarbazole-based dyes for DSSCs: DFT/TD-DFT investigations
- Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications
- Effects of additional π-spacers on the photovoltaic properties of organic dyes for efficient dye-sensitized solar cells: a theoretical study
- Electronic structure and thermochemistry for monocarbides MC, MC+ and MC− (M=Zn, Cd, Hg): CCSD(T) and DFT works
- Benzocarbazole-based D–Di–π–A dyes for DSSCs: DFT/TD-DFT study of influence of auxiliary donors on the performance of free dye and dye–TiO2 interface
- Efficient tuning of benzocarbazole based small donor molecules with D-π-A-π-D configuration for high-efficiency solar cells via π-bridge manipulation: A DFT/ TD-DFT study
- Reactivity and Fe-complexation investigation by computational simulation studies on phenyltetrazole derivatives as mild steel corrosion inhibitors in aqueous acidic medium
- 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
- Effects of electron acceptor groups on triphenylamine-based dyes for dye-sensitized solar cells: Theoretical investigation
- Theoretical design and characterization of D-A1-A based organic dyes for efficient DSSC by altering promising acceptor (A1) moiety
- Coumarin-based D–π–A dyes for efficient DSSCs: DFT and TD-DFT study of the π-spacers influence on photovoltaic properties
- Theoretical study of organic sensitizers based on 2, 6-diphenyl-4H-pyranylidene/1, 3, 4-oxadiazole for dye-sensitized solar cells
- DFT and TD-DFT study of novel triphenylamine based organic dyes for dye-sensitized solar cells
- Computational spectroscopy of diatomic tungsten carbide, WC
- DFT study of molecular properties , potential energy surface and Stability of the dioxide of the group 12 M(O2): M=Zn, Cd and Hg
- New small organic molecules based on thieno[2,3-b]indole for efficient bulk heterojunction organic solar cells: a computational study
- Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizers
- Molecular Design of D-π-A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs
- DFT Theoretical Study of 5-(4-R-Phenyl)-1H-tetrazole (R = H; OCH3; CH3; Cl) as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid
- Reactivity and Fe complexation analysis of a series of quinoxaline derivatives used as steel corrosion inhibitors
- Theoretical investigations of structural, thermal properties and stability of the group 12 metal M(XH) isomers in atmosphere: M = (Zn, Cd, Hg) and XH = (OH, SH)
- DFT and TD-DFT calculations on thieno[2,3-b]indole-based compounds for application in organic bulk heterojunction (BHJ) solar cells
- DFT/TD-DFT characterization of conjugational electronic structures and spectral properties of materials based on thieno[3,2-b][1]benzothiophene for organic photovoltaic and solar cell applications
- The optoelectronic properties of organic materials based on triphenylamine that are relevant to organic solar photovoltaic cells
- The optoelectronic properties of new dyes based on thienopyrazine
- DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells
- Theoretical investigations, spectroscopy and spin orbit couplings for heavy metal complexes MX (M=Hg, and X=H, O, S)
- Theoretical investigation of new thiazolothiazole-based D-π-A organic dyes for efficient dye-sensitized solar cell
- Theoretical design of thiazolothiazole-based organic dyes with different electron donors for dye-sensitized solar cells
- DFT-based QSAR Study of Substituted Pyridine-Pyrazole Derivatives as Corrosion Inhibitors in Molar Hydrochloric Acid
- Electrochemical and Chemical Studies of some Benzodiazepine Molecules as Corrosion Inhibitors for Mild Steel in 1 M HCl
- Influence of N-N dimethyl formamide on electroless copper plating using hypophosphite as reducing agent
- DFT theoretical investigations of π-conjugated molecules based on thienopyrazine and different acceptor moieties for organic photovoltaic cells
- DFT theoretical study of 7-R-3methylquinoxalin-2(1H)-thiones (RH; CH3; Cl) as corrosion inhibitors in hydrochloric acid
- DFT Study of 7-R-3methylquinoxalin-2(1H)-ones (R=H; CH3; Cl) as Corrosion Inhibitors in Hydrochloric Acid
- Investigation of Newly Pyridazine Derivatives as Corrosion Inhibitors in Molar hydrochloric Acid. Part III: Computational Calculations
- New materials based on thiazolothiazole and thiophene candidates for optoelectronic device applications: theoretical investigations
- Interactions of peptides with metallic cations. I. Complexes glycylglycine–M+ (M=Li, Na)
مجلات النشر
- Journal of Molecular Modeling × 8
- Research on Chemical Intermediates × 7
- Journal of Photochemistry and Photobiology A Chemistry × 5
- Computational and Theoretical Chemistry × 4
- International Journal of Electrochemical Science × 4
- Journal of the Indian Chemical Society × 3
المنشورات حسب السنة
- 20262
- 20255
- 20249
- 20239
- 202210
- 20214
- 20207
- 20196
- 20181
- 20173
التعاون العلمي
المؤسسات الشريكة : Université Moulay Ismail de Meknes · Université Ibn-Tofail · Mohamed I University · Université Sultan Moulay Slimane · Mohammed V University
بلدان المؤلفين المشاركين : السعودية
المؤلفون المشاركون
- Adil Touimi Benjelloun
- Asmae Fitri
- Mohammed Bouachrıne
- Omar Britel
- Ahmed Slimi
- M. Sfaira
- Souad Elkhattabi
- Hanane Etabti
- Mohamed Hachi
- N. Ezarfi
- Zineb El Adnani
- Mohamed Ebn Touhami
البيانات البيبليوغرافية مصدرها OpenAlex (قاعدة مفتوحة).
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