New J. Chem.
 2024
DOI: 10.1039/d4nj01849d
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Understanding the second and third order nonlinear optical responses of M@b66/64Al12N12: a comprehensive DFT and TD-DFT study

Meriem Zaidi,
Douniazed Hannachi,
Nahla Chaoui
et al.

Abstract: Materials with significant first hyperpolarizability values are essential for applications in second harmonic generation to achieve frequency doubling. Therefore, ideal NLO materials must not only exhibit a substantial NLO response...

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Cited by 3 publications
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References 82 publications
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Synthesis, Spectroscopic, SC-XRD/DFT and Nonlinear Optical Response of New Halogenated Schiff Base Ligand and its Square Planar Complexes

Lamiri,
Addala,
Merabet
et al. 2025
Journal of Molecular Structure
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Synthesis, Spectroscopic, SC-XRD/DFT and Nonlinear Optical Response of New Halogenated Schiff Base Ligand and its Square Planar Complexes

Lamiri,
Addala,
Merabet
et al. 2025
Journal of Molecular Structure
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Single-metal doped Al12N12 fullerene-like cages as carriers for targeted gingerol delivery in various solvents

Alhowyan,
Mahdi,
Obaidullah
2025
Journal of Molecular Structure
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Investigation of the electronic and optical properties of Al13–dianhydride complexes by (time-dependent) density functional theory

Yan,
Yang,
Hou
2024
New J. Chem.
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