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54 ta ish

Ish: 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

    Maqola2011110 iqtibos
    ABI

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

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Maqola198884 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198825 iqtibos
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199816 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200016 iqtibos
    ABI

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

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

    Maqola200515 iqtibos
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    ABI

  8. Atoms in Molecules

    Richard F. W. Bader

    Kitob199011 iqtibos
    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

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 iqtibos
    ABI

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

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 iqtibos
    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

    Maqola20227 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20157 iqtibos
    ABI

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

    Bernard Silvi, Andreas Savin

    Maqola19946 iqtibos
    ABI

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

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

    Maqola20203 iqtibos
    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

    Maqola20212 iqtibos
    ABI

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

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

    Maqola20222 iqtibos
    ABI

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

    Jun‐ichi Aihara

    Maqola19992 iqtibos
    ABI

  18. Sarlavhasiz

    Boshqa1 iqtibos
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  19. Sarlavhasiz

    Boshqa1 iqtibos
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  20. Sarlavhasiz

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  21. Sarlavhasiz

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  22. Sarlavhasiz

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  23. Sarlavhasiz

    Boshqa1 iqtibos
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  24. Sarlavhasiz

    Boshqa1 iqtibos
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  25. Sarlavhasiz

    Boshqa1 iqtibos
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