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RESEARCH PAPER · Materials · 2023

Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical Materials

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Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical MaterialsOriginalRealizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets5Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages; a density functional theory investigation7Exploration of deep UV-NLO responses of non-conjugated crystal systems by harnessing aprotic solvents: DFT vs experimental4Syntheses, crystal structure, and magnetic characterization of two 3d-4f heterometallic coordination polymers: H3O[LnMn2(2,6-dipic)3Ac2(H2O)6]·3H2O (Ln: Ho, Dy)0Optimization of nonlinear properties of C 6 O 6 Li 6 -doped alkalides via group I/III doping for unprecedented charge transfer and advancements in optoelectronics1Experimental and Theoretical Studies on a New Urea Clathrate Crystal: X-ray Diffraction, Hirshfeld Surface Analysis, RDG − NCI, FMOs, and NBO Analysis3Hexamine metalides: Redefining nonlinear optics with record-breaking hyperpolarizability4Nonlinear optical properties and intermolecular interactions2

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  1. Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets

    Journal of Molecular Modeling · 2024-04-06

    Abrar U. Hassan, Sajjad Hussain Sumrra, Ayesha Mohyuddin, Nyiang Kennet Nkungli, Norah Saad Alhokbany

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  2. Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages; a density functional theory investigation

    Physica Scripta · 2024-08-22

    Misbah Asif, Malai Haniti S. A. Hamid, Imene Bayach, Nadeem S. Sheikh, Khurshid Ayub

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  3. Exploration of deep UV-NLO responses of non-conjugated crystal systems by harnessing aprotic solvents: DFT vs experimental

    Optical Materials · 2024-08-29

    Cihat Güleryüz, Ayesha Mohyuddin, Abrar U. Hassan

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  4. Syntheses, crystal structure, and magnetic characterization of two 3d-4f heterometallic coordination polymers: H3O[LnMn2(2,6-dipic)3Ac2(H2O)6]·3H2O (Ln: Ho, Dy)

    Structural Chemistry · 2024-12-13

    Xue Song Huang, Xiaohan Gao, Chenglong Li, Shuai Guo, Xuechuan Lv, Meiqi Guo, Xuemeng Hu

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  5. Optimization of nonlinear properties of C 6 O 6 Li 6 -doped alkalides via group I/III doping for unprecedented charge transfer and advancements in optoelectronics

    Physical Chemistry Chemical Physics · 2024-12-23

    Naveen Kosar, Khurshid Ayub, Abdulaziz A. Al‐Saadi, Muhammad Imran, Tariq Mahmood

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  6. Experimental and Theoretical Studies on a New Urea Clathrate Crystal: X-ray Diffraction, Hirshfeld Surface Analysis, RDG − NCI, FMOs, and NBO Analysis

    Brazilian Journal of Physics · 2025-04-03

    Wardha Zafar, Sadaf Noreen, Ashraf Y. Elnaggar, M.H.H. Mahmoud, Islam H. El Azab

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  7. Hexamine metalides: Redefining nonlinear optics with record-breaking hyperpolarizability

    Journal of Molecular Liquids · 2025-10-31

    Jabir Hussain, Muhammad Arshad, Riaz Hussain, Ajaz Hussain, Annum Ahsan, Saleh S. Alarfaji, Khurshid Ayub

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  8. Nonlinear optical properties and intermolecular interactions

    Coordination Chemistry Reviews · 2026-01-09

    Alex Iglesias-Reguant, Robert Zaleśny, Josep Maria Luis

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