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Linear and nonlinear optical responses of nitrobenzofurazan-sulfide derivatives: DFT-QTAIM investigation on twisted intramolecular charge transfer
B Abdelaziz, I Chérif, B Gassoumi… - The Journal of …, 2023 - ACS Publications
In this study, we report on the green fluorescence exhibited by nitrobenzofurazan-sulfide
derivatives (NBD-S i, i= 1–4). The optical responses of these studied compounds in a polar …
derivatives (NBD-S i, i= 1–4). The optical responses of these studied compounds in a polar …
Integration of Open Metal Sites in an Amino-Functionalized Sm (III)–Organic Framework toward Enhanced Third-Order Nonlinear Optical Property
A variety of new inorganic and organic materials have emerged to advance laser
technologies and optical engineering. A rational design approach can contribute …
technologies and optical engineering. A rational design approach can contribute …
First theoretical framework for highly efficient photovoltaic parameters by structural modification with benzothiophene-incorporated acceptors in dithiophene based …
Now a days, researchers are constantly doing efforts to upgrade the performance of solar
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …
based devices with the aim of increasing the role of photovoltaic materials in modern hi-tech …
[HTML][HTML] Exploration of photovoltaic behavior of benzodithiophene based non-fullerene chromophores: First theoretical framework for highly efficient photovoltaic …
Kee** in view, the recent energy conditions and contribution of non-fullerene acceptors
(NFAs) towards organic solar cells (OSCs), a series of NFAs (D1-D9) was designed. The …
(NFAs) towards organic solar cells (OSCs), a series of NFAs (D1-D9) was designed. The …
Exploration of nonlinear optical properties of 4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylpropanamide based derivatives: experimental and DFT approach
Triazoles, nitrogen-containing heterocycles, have gained attention for their applications in
medicinal chemistry, drug discovery, agrochemicals, and material sciences. In the current …
medicinal chemistry, drug discovery, agrochemicals, and material sciences. In the current …
Green synthesis of chromonyl chalcone and pyrazoline as potential antimicrobial agents–DFT, molecular docking and antimicrobial studies
The synthesis of biologically important chromonyl chalcone and pyrazoline derivative, via an
impressive as well as an eco-friendly green approach, using LaCl 3/nano SiO 2 catalyst …
impressive as well as an eco-friendly green approach, using LaCl 3/nano SiO 2 catalyst …
Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine
Herein, an integral approach has been made towards the exploration of electronic and
structural parameters of four synthesized (DMA with an A–π–A configuration and DMM …
structural parameters of four synthesized (DMA with an A–π–A configuration and DMM …
Influence of acceptors on the optical nonlinearity of 5 H-4-oxa-1, 6, 9-trithia-cyclopenta [b]-as-indacene-based chromophores with a push–pull assembly: a DFT …
Herein, a series of compounds (TPD1–TPD6) having a D–π–A architecture was quantum
chemically designed via the structural modulation of TPR. Quantum chemical calculations …
chemically designed via the structural modulation of TPR. Quantum chemical calculations …
Computational method on highly efficient D-π-A-π-D-based different molecular acceptors for organic solar cells applications and non-linear optical behaviour
A Arunkumar, XH Ju - Spectrochimica Acta Part A: Molecular and …, 2024 - Elsevier
Eight molecular structures (BT-A1 to BT-A8) with high-performance non-fullerene acceptor
(NFA) were selected for organic solar cells (OSCs) and non-linear optical (NLO) …
(NFA) were selected for organic solar cells (OSCs) and non-linear optical (NLO) …
A new hybrid structure based Pyranoquinoline-Pyridine derivative: synthesis, optical properties, theoretical analysis, and photodiode applications
Abstract The novel 6-ethyl-3-{[(3-cyano-4, 6-dimethyl-2-oxo-1, 2-dihydropyridin-1-yl) imino]
methyl}-4H-pyrano [3, 2-c] quinoline-4, 5 (6H)‑dione (EPIMPQ) was obtained by reacting …
methyl}-4H-pyrano [3, 2-c] quinoline-4, 5 (6H)‑dione (EPIMPQ) was obtained by reacting …