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DFT molecular modeling studies of D-π-A-π-D type cyclopentadithiophene-diketopyrrolopyrrole based small molecules donor materials for organic photovoltaic cells

Optik (Stuttgart), 2021-08, Vol.239, p.166787, Article 166787

2021

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Toward designing new cyclopentadithiophene-naphthalene derivatives based small molecules for organic electronic applications: A theoretical investigation

Materials today communications, 2021-06, Vol.27, p.102370, Article 102370

2021

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Difluorinated cyclopentadithiophene derivatives for green emitters in organic light-emitting diodes: A theoretical investigation

The Journal of physics and chemistry of solids, 2021-09, Vol.156, p.110170, Article 110170

2021

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Effect of Benzothiadiazole-Based π‑Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-12, Vol.127 (50), p.10555-10569

2023

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DFT and TD-DFT studies on the electronic and optical properties of linear π-conjugated cyclopentadithiophene (CPDT) dimer for efficient blue OLED

Optical materials, 2019-05, Vol.91, p.108-114

2019

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New fluorescent material based on anthracene and triazole for blue organic light emitting diode: A combined experimental and theoretical study

Journal of molecular liquids, 2022-01, Vol.345, p.116984, Article 116984

2022

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Influence of molecular structure on the coupling strength to a plasmonic nanoparticle and hot carrier generation

Nanoscale, 2024-06, Vol.16 (25), p.12163-12173

2024

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SNAr reactions of substituted pyridines with secondary amines in aqueous solution: Kinetic and reactivity indices in density functional theory

International journal of chemical kinetics, 2019-04, Vol.51 (4), p.249-257

2019

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Catalytic Enantioselective Allylboration and Related Reactions of Isatins Promoted by Chiral BINOLs: Scope and Mechanistic Studies

Journal of organic chemistry, 2023-02, Vol.88 (3), p.1469-1492

2023

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Optoelectronic properties of cyclopentadithiophene-based donor–acceptor copolymers as donors in bulk heterojunction organic solar cells: A theoretical study

The Journal of physics and chemistry of solids, 2020-10, Vol.145, p.109532, Article 109532

2020

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In silico modelling of acceptor materials by End-capped and π-linker modifications for High-Performance organic solar Cells: Estimated PCE > 18

Computational and theoretical chemistry, 2022-02, Vol.1208, p.113555, Article 113555

2022

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S N Ar reactions of substituted pyridines with secondary amines in aqueous solution: Kinetic and reactivity indices in density functional theory

International journal of chemical kinetics, 2019-04, Vol.51 (4), p.249-257

2019

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The N-alkylation of 4-nitrobenzochalcogenadiazoles: Synthesis and theoretical approach

Journal of molecular structure, 2019-12, Vol.1197, p.80-86

2019

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Photovoltaic investigation of CPDT based small molecule for BHJ OSC devices

2021 18th International Multi-Conference on Systems, Signals & Devices (SSD), 2021, p.1345-1349

2021

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Theoretical study on electro-optical properties of cyclopentadithiophene based material for OLED

2020 17th International Multi-Conference on Systems, Signals & Devices (SSD), 2020, p.609-611

2020

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DFT Computational Modeling and Design of New Cyclopentadithiophene (CPDT) Derivatives for Highly Efficient Blue Emitters in OLEDs

Polymers for Light-Emitting Devices and Displays, 2020, p.1-2

2020

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A Case of Acquired Aplastic Anemia after Severe Hepatitis- Probably Induced by the Pfizer/BioNTech Vaccine: A Case Report and Review of Literature

Vaccines (Basel), 2023-07, Vol.11 (7), p.1228

2023

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A first Tunisian pilot study investigating sexual dysfunctions in patients with hemophilia. [version 1; peer review: 1 approved with reservations]

F1000 research, 2023, Vol.12, p.305

2023

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Acute methotrexate neurotoxicity revealed by a cerebellar syndrome

Revue neurologique, 2016-12, Vol.172 (12), p.791-793

2016

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Synchronous Thyroid and Gastric Mantle Cell Lymphoma

International journal of medical and pharmaceutical case reports, 2016-01, Vol.8 (1), p.1-6

2016

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Myocardial Infarction in a Young Patient with Chronic Myeloid Leukemia after Nilotinib Use

International journal of medical and pharmaceutical case reports, 2016-01, Vol.7 (5), p.1-5

2016

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A Case of Acquired Aplastic Anemia after Severe Hepatitis- Probably Induced by the Pfizer/BioNTech Vaccine: A Case Report and Review of Literature

Vaccines, 2023, Vol.11 (7)

2023

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DFT molecular modeling studies of D-π-A-π-D type cyclopentadithiophene-diketopyrrolopyrrole based small molecules donor materials for organic photovoltaic cells

Toward designing new cyclopentadithiophene-naphthalene derivatives based small molecules for organic electronic applications: A theoretical investigation

Difluorinated cyclopentadithiophene derivatives for green emitters in organic light-emitting diodes: A theoretical investigation

Effect of Benzothiadiazole-Based π‑Spacers on Fine-Tuning of Optoelectronic Properties of Oligothiophene-Core Donor Materials for Efficient Organic Solar Cells: A DFT Study

DFT and TD-DFT studies on the electronic and optical properties of linear π-conjugated cyclopentadithiophene (CPDT) dimer for efficient blue OLED

New fluorescent material based on anthracene and triazole for blue organic light emitting diode: A combined experimental and theoretical study

Influence of molecular structure on the coupling strength to a plasmonic nanoparticle and hot carrier generation

SNAr reactions of substituted pyridines with secondary amines in aqueous solution: Kinetic and reactivity indices in density functional theory

Catalytic Enantioselective Allylboration and Related Reactions of Isatins Promoted by Chiral BINOLs: Scope and Mechanistic Studies

Optoelectronic properties of cyclopentadithiophene-based donor–acceptor copolymers as donors in bulk heterojunction organic solar cells: A theoretical study

In silico modelling of acceptor materials by End-capped and π-linker modifications for High-Performance organic solar Cells: Estimated PCE > 18

S N Ar reactions of substituted pyridines with secondary amines in aqueous solution: Kinetic and reactivity indices in density functional theory

The N-alkylation of 4-nitrobenzochalcogenadiazoles: Synthesis and theoretical approach

Photovoltaic investigation of CPDT based small molecule for BHJ OSC devices

Theoretical study on electro-optical properties of cyclopentadithiophene based material for OLED

DFT Computational Modeling and Design of New Cyclopentadithiophene (CPDT) Derivatives for Highly Efficient Blue Emitters in OLEDs

A Case of Acquired Aplastic Anemia after Severe Hepatitis- Probably Induced by the Pfizer/BioNTech Vaccine: A Case Report and Review of Literature

A first Tunisian pilot study investigating sexual dysfunctions in patients with hemophilia. [version 1; peer review: 1 approved with reservations]

Acute methotrexate neurotoxicity revealed by a cerebellar syndrome

Synchronous Thyroid and Gastric Mantle Cell Lymphoma

Myocardial Infarction in a Young Patient with Chronic Myeloid Leukemia after Nilotinib Use

A Case of Acquired Aplastic Anemia after Severe Hepatitis- Probably Induced by the Pfizer/BioNTech Vaccine: A Case Report and Review of Literature

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