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84 works

Work: 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

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  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

    ArticleThermodynamic properties of mixturesBulletin of the Lebedev Physics Institute20250 citations
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  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

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

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

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    ArticleGas Sensing Nanomaterials and SensorsJournal of Molecular Graphics and Modelling20260 citations
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  6. Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation

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

    ArticleSynthesis and Properties of Aromatic CompoundsRussian Journal of Physical Chemistry B20260 citations
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  7. Electrochemistry at steel/ acid interface: Adsorption and corrosion inhibition effect of chemically modified expired amantadine drug

    Mrityunjay Shukla, Shailendra Yadav, Elyor Berdimurodov +4

    ArticleCorrosion Behavior and InhibitionResults in Chemistry20260 citations
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  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

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  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

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    ABI