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110 ta ish

Ish: Multiwfn: A multifunctional wavefunction analyzer

  1. Synthesis and Structural Profiling of a Fluorinated Bis Schiff Base: a Comprehensive Study Via DFT and Molecular Topology

    Sobhi M. Gomha, Sami A. Al-Hussain, Magdi E. A. Zaki +2

    MaqolaNonlinear Optical Materials ResearchJournal of Fluorescence20260 iqtibos
    ABI

  2. DFT, spectroscopic and MD insights into teneligliptin (TLG) adsorption on Cu3 and Cu(111): Implications for SERS sensing and drug-metal interfaces

    Jamelah S. Al-Otaib, Y. Sheena Mary, Mirjalol Ismoilov +2

    MaqolaGold and Silver Nanoparticles Synthesis and ApplicationsSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20260 iqtibos
    ABI

  3. Tuning Biomolecular Adsorption and Electronic Sensitivity of α-Phographene via Targeted Heteroatom Doping

    Qamar Abuhassan, Mohamed Abu Shuheil, Rafid Kamal Jameel +8

    MaqolaGraphene research and applicationsJournal of Inorganic and Organometallic Polymers and Materials20260 iqtibos
    ABI

  4. Selective detection of atmospheric pollutant gases on a B2C3N nanosheet: A comprehensive DFT, electronic structure, and topological analysis of adsorption mechanisms

    Nagendra P. Yadav, Ghada Al-Assi, Ahmed Aldulaimi +8

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of Physics and Chemistry of Solids20260 iqtibos
    ABI

  5. Effect of carbamazepine adsorption on the metal oxide nanoclusters for the design of a high-efficiency electrochemical sensor: a DFT study

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaElectrochemical sensors and biosensorsJournal of Nanoparticle Research20260 iqtibos
    ABI

  6. Role of Tri-coordinate nitrogen vacancies in graphitic carbon nitride during photocatalytic oxygen-selective oxidation of cinnamaldehyde to benzaldehyde

    Bingbing Li, Zuzeng Qin, Xuan Luo +4

    MaqolaAdvanced Photocatalysis TechniquesJournal of Catalysis20260 iqtibos
    ABI

  7. Exceptional electronic responsiveness of a B3S nanosheet toward Al3+ and Zn2+ ions: A first-principles study

    Bhishma Karki, Mohamed Bechir Ben Hamida, Ghada Al-Assi +8

    MaqolaBoron and Carbon Nanomaterials ResearchJournal of Physics and Chemistry of Solids20260 iqtibos
    ABI

  8. Fine-Tuning of Charge-Transport Properties of Terrylenediimide-Based Sensitizers for Dye-Sensitized Solar Cells

    Qamar Abuhassan, Rima Heider Al Omari, Narinderjit Singh Sawaran Singh +8

    MaqolaTiO2 Photocatalysis and Solar CellsJournal of Electronic Materials20260 iqtibos
    ABI

  9. Effects of Halogen Bond, Hydrogen Bond, and π‐Tetrel Bond on the Internal CC Bond of Halogenated Ethylene

    Akhtam Amonov, Steve Scheiner

    MaqolaCrystallography and molecular interactionsChemPhysChem20260 iqtibos
    ABI

  10. Electronic Structure, Absorption, and Cyclic Voltammetry Studies of Bis-Imine Schiff Base: a Combined Experimental and Theoretical Correlation

    N. Elangovan, Sami A. Al-Hussain, S. Sowrirajan +4

    MaqolaNonlinear Optical Materials ResearchJournal of Fluorescence20260 iqtibos
    ABI