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Иш: Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

  1. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

    I. N. Nurgaliev, M. B. Marasulov, Z. N. Zhulliev +2

    МақолаPerovskite Materials and ApplicationsJournal of Structural Chemistry20250 иқтибос
    ABI

  2. Raman Spectra and Quantum-Chemical Computational Analysis of Intermolecular Interactions in Ortho-Xylene and Its Solutions with Chloroform

    A. Jumabaev, H. A. Hushvaktov, A. A. Absanov +4

    МақолаThermodynamic properties of mixturesBulletin of the Lebedev Physics Institute20250 иқтибос
    ABI

  3. Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes

    Yusufjon Nazarov, Khayit Kh. Turaev, Sherzod A. Kasimov +6

    МақолаMetal complexes synthesis and propertiesJournal of Molecular Structure20260 иқтибос
    ABI

  4. Structural, electronic and vibrational properties of sulfated β--5 lignin model compounds: a DFT investigation

    Aleksandr S. Kazachenko, Feride Akman, Utkirjon Holikulov +2

    МақолаLignin and Wood ChemistryMendeleev Communications20260 иқтибос
    ABI

  5. Theoretical insights into the application of petal Graphyne monolayer as a promising sensor for propylene oxide

    Qamar Abuhassan, Kamel A. Saleh, Omayma Salim Waleed +8

    МақолаGas Sensing Nanomaterials and SensorsJournal of Molecular Graphics and Modelling20260 иқтибос
    ABI

  6. Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation

    E. Taniş, F. Akman, U. Holikulov +4

    МақолаSynthesis and Properties of Aromatic CompoundsRussian Journal of Physical Chemistry B20260 иқтибос
    ABI

  7. Electrochemistry at steel/ acid interface: Adsorption and corrosion inhibition effect of chemically modified expired amantadine drug

    Mrityunjay Shukla, Shailendra Yadav, Elyor Berdimurodov +4

    МақолаCorrosion Behavior and InhibitionResults in Chemistry20260 иқтибос
    ABI

  8. 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

    МақолаBoron and Carbon Nanomaterials ResearchJournal of Physics and Chemistry of Solids20260 иқтибос
    ABI

  9. Energy-framework analysis and electronic structure correlation in trans-diaquabis(5-methylthiazole-2-carboxylato-κN,O)nickel(II)

    Sanjar Nayimovich Kamolov, Bakhtiyar Tulaganovich Ibragimov, A. Aditya Prasad +8

    МақолаMetal-Organic Frameworks: Synthesis and ApplicationsJournal of Molecular Structure20260 иқтибос
    ABI