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Exploring the structural, electronic, and hydrogen storage properties of hexagonal boron nitride and carbon nanotubes: insights from single-walled to doped double-walled configurations

Scientific reports, 2024-02, Vol.14 (1), p.4970-4970, Article 4970

2024

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Promising sensors for pharmaceutical pollutant adsorption using Clar’s goblet-based 2D membranes

Scientific reports, 2024-01, Vol.14 (1), p.889-889, Article 889

2024

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Electronic and optical properties of chemically modified 2D GaAs nanoribbons

Scientific reports, 2023-09, Vol.13 (1), p.15535-15535, Article 15535

2023

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Electronic and Optical Properties of Finite Gallium Sulfide Nano Ribbons: A First-Principles Study

Crystals (Basel), 2023-08, Vol.13 (8), p.1215

2023

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Quinoline-Based Materials: Spectroscopic Investigations as well as DFT and TD-DFT Calculations

Journal of chemistry, 2022-01, Vol.2022, p.1-9

2022

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First-Principles Study of MoS2, WS2, and NbS2 Quantum Dots: Electronic Properties and Hydrogen Evolution Reaction

Crystals (Basel), 2023-07, Vol.13 (7), p.994

2023

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Chemically modified covalent organic frameworks for a healthy and sustainable environment: First-principles study

Chemosphere (Oxford), 2022-12, Vol.308, p.136581-136581, Article 136581

2022

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Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications

Journal of fluorescence, 2022-09, Vol.32 (5), p.1857-1871

2022

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1,2,4-Triazine-based Materials: Spectroscopic Investigation, DFT, NBO, and TD-DFT Calculations as Well As Dye-sensitized Solar Cells Applications

Journal of fluorescence, 2022-11, Vol.32 (6), p.2053-2063

2022

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Exploring the Potential of Chemically Modified Graphyne Nanodots as an Efficient Adsorbent and Sensitive Detector of Environmental Contaminants: A First Principles Study

Journal of fluorescence, 2024-03, Vol.34 (2), p.945-960

2024

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Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties

Journal of electronic materials, 2023-08, Vol.52 (8), p.5227-5238

2023

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Correction: Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties

Journal of electronic materials, 2023-08, Vol.52 (8), p.5755-5755

2023

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Plasmonic Surface of Metallic Gold and Silver Nanoparticles Induced Fluorescence Quenching of Meso-Terakis (4-Sulfonatophenyl) Porphyrin (TPPS) and Theoretical–Experimental Comparable

Journal of fluorescence, 2022-11, Vol.32 (6), p.2257-2269

2022

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Novel ultra-sensitive and highly selective cyanine sensors based on solvent-free microwave synthesis for the detection of trace hypochlorite ions in drinking water

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-12, Vol.303, p.123116, Article 123116

2023

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Spectroscopic, NBO, DFT, and TD-DFT investigation of 7-(Dimethylamino)-4-(Trifluoromethyl)Coumarin (C152)

Molecular Crystals and Liquid Crystals, 2023-03, Vol.754 (1), p.98-112

2023

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2,5-Bis(5-tert-butyl-benzoxazole-2-yl) thiophene (BTBB): spectroscopic behavior, dipole moment, laser behavior, DFT and TD-DFT investigations

Molecular Crystals and Liquid Crystals, 2023-03, Vol.754 (1), p.16-30

2023

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Experimental and theoretical study of optical properties of pyrromethene (PM‐597) laser dye in binary eco‐friendly solvent

Journal of physical organic chemistry, 2023-02, Vol.36 (2), p.n/a

2023

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Laser performance and investigation of the optimal density functional and the dependence of the basis sets for (E, E)-2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) molecule

Journal of molecular modeling, 2021-09, Vol.27 (9), p.256-256, Article 256

2021

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Laser Performance of Some Oxazole Laser Dyes in Restricted Matrices

Journal of fluorescence, 2017-07, Vol.27 (4), p.1267-1275

2017

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Head and Neck and Endocrine Surgery: From Clinical Presentation to Treatment Success

Sakr, Mahmoud

1st ed. 2016, 2016

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Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)

Journal of molecular structure, 2022-06, Vol.1258, p.132699, Article 132699

2022

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Photophysical, photochemical and laser behavior of some diolefinic laser dyes in sol–gel and methyl methacrylate/2-hydroxyethyl methacrylate copolymer matrices

Optics and laser technology, 2015-08, Vol.71, p.78-84

2015

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Magnetic properties of laterally connected super-zethrene chains: Insights from spin-polarized calculations

Journal of magnetism and magnetic materials, 2024-01, Vol.590, p.171684, Article 171684

2024

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Tailoring TiO2 finite nanotubes: Doping-induced modulation of electronic, optical, and hydrogen storage properties

Fuel (Guildford), 2024-03, Vol.359, p.130334, Article 130334

2024

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MXenes quantum dots for efficient pesticide adsorbents: A first principal study of the adsorption capability

Materials science & engineering. B, Solid-state materials for advanced technology, 2024-02, Vol.300, p.117078, Article 117078

2024

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Exploring the structural, electronic, and hydrogen storage properties of hexagonal boron nitride and carbon nanotubes: insights from single-walled to doped double-walled configurations

Promising sensors for pharmaceutical pollutant adsorption using Clar’s goblet-based 2D membranes

Electronic and optical properties of chemically modified 2D GaAs nanoribbons

Electronic and Optical Properties of Finite Gallium Sulfide Nano Ribbons: A First-Principles Study

Quinoline-Based Materials: Spectroscopic Investigations as well as DFT and TD-DFT Calculations

First-Principles Study of MoS2, WS2, and NbS2 Quantum Dots: Electronic Properties and Hydrogen Evolution Reaction

Chemically modified covalent organic frameworks for a healthy and sustainable environment: First-principles study

Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications

1,2,4-Triazine-based Materials: Spectroscopic Investigation, DFT, NBO, and TD-DFT Calculations as Well As Dye-sensitized Solar Cells Applications

Exploring the Potential of Chemically Modified Graphyne Nanodots as an Efficient Adsorbent and Sensitive Detector of Environmental Contaminants: A First Principles Study

Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties

Correction: Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties

Plasmonic Surface of Metallic Gold and Silver Nanoparticles Induced Fluorescence Quenching of Meso-Terakis (4-Sulfonatophenyl) Porphyrin (TPPS) and Theoretical–Experimental Comparable

Novel ultra-sensitive and highly selective cyanine sensors based on solvent-free microwave synthesis for the detection of trace hypochlorite ions in drinking water

Spectroscopic, NBO, DFT, and TD-DFT investigation of 7-(Dimethylamino)-4-(Trifluoromethyl)Coumarin (C152)

2,5-Bis(5-tert-butyl-benzoxazole-2-yl) thiophene (BTBB): spectroscopic behavior, dipole moment, laser behavior, DFT and TD-DFT investigations

Experimental and theoretical study of optical properties of pyrromethene (PM‐597) laser dye in binary eco‐friendly solvent

Laser performance and investigation of the optimal density functional and the dependence of the basis sets for (E, E)-2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) molecule

Laser Performance of Some Oxazole Laser Dyes in Restricted Matrices

Head and Neck and Endocrine Surgery: From Clinical Presentation to Treatment Success

Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)

Photophysical, photochemical and laser behavior of some diolefinic laser dyes in sol–gel and methyl methacrylate/2-hydroxyethyl methacrylate copolymer matrices

Magnetic properties of laterally connected super-zethrene chains: Insights from spin-polarized calculations

Tailoring TiO2 finite nanotubes: Doping-induced modulation of electronic, optical, and hydrogen storage properties

MXenes quantum dots for efficient pesticide adsorbents: A first principal study of the adsorption capability

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