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

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Мақола198884 иқтибос
    ABI

  3. Density-functional exchange-energy approximation with correct asymptotic behavior

    Axel D. Becke

    Мақола198825 иқтибос
    ABI

  4. Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Мақола199816 иқтибос
    ABI

  5. Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

  6. Hydrogen bonds: relation between lengths and electron densities at bond critical points

    T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen +1

    Мақола200515 иқтибос
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Мақола198514 иқтибос
    ABI

  8. Atoms in Molecules

    Richard F. W. Bader

    Китоб199011 иқтибос
    ABI

  9. Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis

    А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2

    МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 иқтибос
    ABI

  10. Solvent effect on the self-association of the 1,2,4-triazole: A DFT study

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 иқтибос
    ABI

  11. DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis

    Feride Akman, Аleksandr S. Kazachenko, Noureddine Issaoui

    Мақола20227 иқтибос
    ABI

  12. ABCluster: the artificial bee colony algorithm for cluster global optimization

    Jun Zhang, Michael Dolg

    Мақола20157 иқтибос
    ABI

  13. Classification of chemical bonds based on topological analysis of electron localization functions

    Bernard Silvi, Andreas Savin

    Мақола19946 иқтибос
    ABI

  14. Theoretical DFT interpretation of infrared spectra of biologically active arabinogalactan sulphated derivatives

    Аleksandr S. Kazachenko, Felix N. Tomilin, Anastasia A. Pozdnyakova +4

    Мақола20203 иқтибос
    ABI

  15. Sulfation of Diethylaminoethyl-Cellulose: QTAIM Topological Analysis and Experimental and DFT Studies of the Properties

    Аleksandr S. Kazachenko, Feride Akman, Mouna Medimagh +7

    Мақола20212 иқтибос
    ABI

  16. Catalytic Sulfation of Betulin with Sulfamic Acid: Experiment and DFT Calculation

    Аleksandr S. Kazachenko, Feride Akman, Natalya Vasilieva +10

    Мақола20222 иқтибос
    ABI

  17. Reduced HOMO−LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons

    Jun‐ichi Aihara

    Мақола19992 иқтибос
    ABI

  18. Сарлавҳасиз

    Бошқа1 иқтибос
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  19. Сарлавҳасиз

    Бошқа1 иқтибос
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  20. Сарлавҳасиз

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  21. Сарлавҳасиз

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  22. Сарлавҳасиз

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  23. Сарлавҳасиз

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  24. Сарлавҳасиз

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  25. Сарлавҳасиз

    Бошқа1 иқтибос
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