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RESEARCH PAPER · International Journal of Quantum Chemistry · 2022

A first principles study of nonlinear optical properties of a quinoline derivative

Renato Medeiros, Clodoaldo Valverde, Md. Serajul Haque Faizi, Asif Jamal, Francisco A. P. Osório

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A first principles study of nonlinear optical properties of a quinoline derivativeOriginalDft Calculation for the Nonlinear Optical Response of Functionalized Quinolines0DFT Calculation for the Nonlinear Optical Response of Functionalized Quinolines0Formaldehyde in biological systems: Involving sources, related diseases and reaction-based fluorescent detection18Synthesis, Structural Characterization, DFT Calculations, and Molecular Docking of a Novel Quinoline Derivative44Designing Potential Anti-Alzheimer's Agents: Template Synthesis, Structural and Theoretical Studies, and Biological Evaluation of a Nickel(Ii) Complex with an N4-Tetradentate 1,2,4-Triazole-Derived Ligand0DFT calculation and molecular docking studies of designing quinoline-derived anti-Alzheimer agents with NLO response13Designing of quinoline-based esterase inhibitor: Synthesis, crystal structure, DFT calculations, and molecular docking9Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation8Synthesis, structural and theoretical studies, and biological evaluation of a nickel(II) complex derived from N4-tetradentate 1,2,4-triazole-derived ligand as potential anti-Alzheimer's agent2Quantum chemical study on molecular structure, chemical reactivity, MEP, NLO and charge analysis of new quinoxaline-linked-1,2,4-triazole-sulfonamide0Car–Parrinello molecular dynamics of QMAP-DMSO microsolvation: first-shell structure and solvent-induced polarization0

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11 direct citing papers saved.

  1. Dft Calculation for the Nonlinear Optical Response of Functionalized Quinolines

    SSRN Electronic Journal · 2023-01-01

    Asif Jamal, Zeba Alam, Md. Serajul Haque Faizi, Necmi Dege

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  2. DFT Calculation for the Nonlinear Optical Response of Functionalized Quinolines

    SSRN Electronic Journal · 2023-01-01

    Asif Jamal, Zeba Alam, Md. Serajul Haque Faizi, Necmi Dege

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  3. Formaldehyde in biological systems: Involving sources, related diseases and reaction-based fluorescent detection

    TrAC Trends in Analytical Chemistry · 2023-09-19

    Chunfei Wang, Xuanjun Zhang

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  4. Synthesis, Structural Characterization, DFT Calculations, and Molecular Docking of a Novel Quinoline Derivative

    Journal of Molecular Structure · 2023-12-06

    Asif Jamal, Md. Serajul Haque Faizi, Necmi Dege

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  5. Designing Potential Anti-Alzheimer's Agents: Template Synthesis, Structural and Theoretical Studies, and Biological Evaluation of a Nickel(Ii) Complex with an N4-Tetradentate 1,2,4-Triazole-Derived Ligand

    SSRN Electronic Journal · 2024-01-01

    Yevgen V. Herasymenko, Maxym O. Plutenko, Dmytro M. Khomenko, Md. Serajul Haque Faizi, Sergiu G. Shova, Irina A. Golenya, Rostyslav D. Lampeka, Igor O. Fritsky

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  6. DFT calculation and molecular docking studies of designing quinoline-derived anti-Alzheimer agents with NLO response

    Journal of the Indian Chemical Society · 2024-05-21

    Asif Jamal, Hela Ferjani, Md. Serajul Haque Faizi, Abdullah Yahya Abdullah Alzahrani

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  7. Designing of quinoline-based esterase inhibitor: Synthesis, crystal structure, DFT calculations, and molecular docking

    Journal of Molecular Structure · 2024-08-05

    Asif Jamal, Md. Serajul Haque Faizi, Hela Ferjani

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  8. Experimental and theoretical studies of pyrazole-4-carbaldehyde derivatives by X-ray crystallography, DFT, molecular docking, and molecular dynamics simulation

    Journal of Molecular Structure · 2024-08-26

    Fahad Abdulaziz, Asif Jamal, Md. Serajul Haque Faizi, Abdul Malik P. Peedikakkal, Afzal Hussain, Idris Juma Al-Busaidi, Necmi Dege, Khalaf M. Alenezi, Ashanul Haque

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  9. Synthesis, structural and theoretical studies, and biological evaluation of a nickel(II) complex derived from N4-tetradentate 1,2,4-triazole-derived ligand as potential anti-Alzheimer's agent

    Journal of Molecular Structure · 2024-09-20

    Yevgen V. Herasymenko, Maxym O. Plutenko, Dmytro M. Khomenko, Md. Serajul Haque Faizi, Sergiu G. Shova, Irina A. Golenya, Rostyslav D. Lampeka, Igor O. Fritsky

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  10. Quantum chemical study on molecular structure, chemical reactivity, MEP, NLO and charge analysis of new quinoxaline-linked-1,2,4-triazole-sulfonamide

    Journal of Molecular Structure · 2025-12-25

    Nallapu Mallla Reddy, Gaddam Ramesh Reddy, Gaddam Ramesh Reddy, Gaddam Ramesh Reddy, Jeyanthi Arasan, B. Venkatram Reddy

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  11. Car–Parrinello molecular dynamics of QMAP-DMSO microsolvation: first-shell structure and solvent-induced polarization

    Journal of Molecular Modeling · 2026-08-29

    Renato Medeiros, Francisco A. P. Osório, Clodoaldo Valverde, Ademir João Camargo

    Read original paper ↗ ·
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