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Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

Journal of biomolecular structure & dynamics, 2021-05, Vol.39 (8), p.2971-2979

2021

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Theoretical study of new conjugated compounds with a low bandgap for bulk heterojunction solar cells: DFT and TD-DFT study

Results in Chemistry, 2020-01, Vol.2, p.100040, Article 100040

2020

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Theoretical design of D-π-A system new dyes candidate for DSSC application

Heliyon, 2021-06, Vol.7 (6), p.e07171-e07171, Article e07171

2021

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Fractionnement et valorisation de l’huile essentielle de la sciure de bois de Tetraclinis articulata (Vahl) Masters du Maroc

Phytothérapie (Paris, France), 2012-08, Vol.10 (4), p.222-228

2012

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Molecular Design of D-π-A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs

Journal of electronic materials, 2019-07, Vol.48 (7), p.4452-4462

2019

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Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizers

Journal of molecular modeling, 2019-01, Vol.25 (1), p.9-9, Article 9

2019

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Drafting novel N-phenylnaphthalen-1-amine-based dyes for designing highly proficient organic solar cells: theoretical investigation of the π-linker influence on photovoltaic properties

Optical and quantum electronics, 2022-02, Vol.54 (2), Article 119

2022

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Synthesis, characterization, DFT and TD-DFT studies of novel carbazole-based copolymer used in high efficient dye-sensitized solar cells

Polymer testing, 2018-04, Vol.66, p.78-86

2018

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Inhibition of copper corrosion by bipyrazole compound in aerated 3% NaCl

Journal of Saudi Chemical Society, 2012-10, Vol.16 (4), p.413-418

2012

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Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer’s Disease Treatment

Russian journal of bioorganic chemistry, 2024, Vol.50 (3), p.1016-1036

2024

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Structure–property relationships of soluble poly(2,5-dibutoxyethoxy-1,4-phenylene-alt-2,5-thienylene) (PBuPT) for organic-optoelectronic devices

Journal of molecular structure, 2013-03, Vol.1036, p.7-18

2013

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Theoretical Investigations on the Electronic and Optical Properties of Bridged Oligothiophenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (39), p.9730-9738

2012

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A Theoretical Investigation on the Corrosion Inhibition of Copper by Quinoxaline Derivatives in Nitric Acid Solution

International journal of electrochemical science, 2012, Vol.7 (7), p.6353-6364

2012

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3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents

Journal of structural chemistry, 2018-12, Vol.59 (7), p.1544-1554

2018

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QSPR Study of the Retention/Release Property of Odorant Molecules in Water, Dairy and Pectin gels

Materials today : proceedings, 2019, Vol.13, p.621-629

2019

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Alizarin red: An efficient Inhibitor of C38 Steel Corrosion in Hydrochloric Acid

International journal of electrochemical science, 2012, Vol.7 (6), p.5716-5733

2012

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Nonlinear optical response of D-π-A chromophores based on benzoxazin: quantum modification of π‑spacer

Current chemistry letters, 2022, Vol.11 (3), p.331-340

2022

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Organic materials based on thiophene and benzothiadiazole for organic solar cells. Computational investigations

Materials and devices : an international scientific journal, 2020-05, Vol.5 (1), p.2804-1-2804-11

2020

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Synthesis and characterization of novel graft copolymers of Poly(N-vinylcarbazole) and Poly(3-methylthiophene) for optoelectronic applications

Synthetic metals, 2010-11, Vol.160 (21), p.2306-2314

2010

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Quantum Chemical Studies on the Inhibiting Effect of Bipyrazoles on Steel Corrosion in HCl

Journal of chemistry, 2010, Vol.7 (2), p.419-424

2010

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The optoelectronic properties of π-conjugated organic molecules based on terphenyl and pyrrole for BHJ solar cells: DFT / TD-DFT theoretical study

Current chemistry letters, 2021, Vol.10 (4), p.489-502

2021

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4-(2-(2-(2-(2-(Pyridine-4-yl)ethylthio)ethoxy)ethylthio)ethyl)pyridine as New Corrosion Inhibitor for Mild Steel in 1.0 M HCl Solution: Experimental and Theoretical Studies

Journal of bio- and tribo-corrosion, 2018-12, Vol.4 (4), p.1-18, Article 64

2018

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A Combined Experimental and Theoretical Study on the Corrosion Inhibition and Adsorption Behaviour of Quinoxaline Derivative During Carbon Steel Corrosion in Hydrochloric Acid

Portugaliae Electrochimica Acta, 2012, Vol.30 (6), p.405-417

2012

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A study of polymers obtained by oxidative coupling of furan monomers

Synthetic metals, 2011-11, Vol.161 (21), p.2220-2225

2011

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Density functional theory [B3LYP/6-311G(d,p)] study of a new copolymer based on carbazole and (3,4-Ethylenedioxythiophene) in their aromatic and polaronic states

Journal of applied polymer science, 2011-12, Vol.122 (5), p.3351-3360

2011

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Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

Theoretical study of new conjugated compounds with a low bandgap for bulk heterojunction solar cells: DFT and TD-DFT study

Theoretical design of D-π-A system new dyes candidate for DSSC application

Fractionnement et valorisation de l’huile essentielle de la sciure de bois de Tetraclinis articulata (Vahl) Masters du Maroc

Molecular Design of D-π-A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs

Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizers

Drafting novel N-phenylnaphthalen-1-amine-based dyes for designing highly proficient organic solar cells: theoretical investigation of the π-linker influence on photovoltaic properties

Synthesis, characterization, DFT and TD-DFT studies of novel carbazole-based copolymer used in high efficient dye-sensitized solar cells

Inhibition of copper corrosion by bipyrazole compound in aerated 3% NaCl

Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer’s Disease Treatment

Structure–property relationships of soluble poly(2,5-dibutoxyethoxy-1,4-phenylene-alt-2,5-thienylene) (PBuPT) for organic-optoelectronic devices

Theoretical Investigations on the Electronic and Optical Properties of Bridged Oligothiophenes

A Theoretical Investigation on the Corrosion Inhibition of Copper by Quinoxaline Derivatives in Nitric Acid Solution

3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents

QSPR Study of the Retention/Release Property of Odorant Molecules in Water, Dairy and Pectin gels

Alizarin red: An efficient Inhibitor of C38 Steel Corrosion in Hydrochloric Acid

Nonlinear optical response of D-π-A chromophores based on benzoxazin: quantum modification of π‑spacer

Organic materials based on thiophene and benzothiadiazole for organic solar cells. Computational investigations

Synthesis and characterization of novel graft copolymers of Poly(N-vinylcarbazole) and Poly(3-methylthiophene) for optoelectronic applications

Quantum Chemical Studies on the Inhibiting Effect of Bipyrazoles on Steel Corrosion in HCl

The optoelectronic properties of π-conjugated organic molecules based on terphenyl and pyrrole for BHJ solar cells: DFT / TD-DFT theoretical study

4-(2-(2-(2-(2-(Pyridine-4-yl)ethylthio)ethoxy)ethylthio)ethyl)pyridine as New Corrosion Inhibitor for Mild Steel in 1.0 M HCl Solution: Experimental and Theoretical Studies

A Combined Experimental and Theoretical Study on the Corrosion Inhibition and Adsorption Behaviour of Quinoxaline Derivative During Carbon Steel Corrosion in Hydrochloric Acid

A study of polymers obtained by oxidative coupling of furan monomers

Density functional theory [B3LYP/6-311G(d,p)] study of a new copolymer based on carbazole and (3,4-Ethylenedioxythiophene) in their aromatic and polaronic states

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