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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

    Maqola2011135 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

    MaqolaOchiq kirish1988107 iqtibos
    ABI

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

    Axel D. Becke

    Maqola198829 iqtibos
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199818 iqtibos
    ABI

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

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

    Maqola200517 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200017 iqtibos
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Maqola198517 iqtibos
    ABI

  8. Atoms in Molecules

    Richard F. W. Bader

    Kitob199015 iqtibos
    ABI

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

    Bernard Silvi, Andreas Savin

    Maqola199410 iqtibos
    ABI

  10. 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

  11. 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 Liquids20238 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20158 iqtibos
    ABI

  13. 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, Aleksandr S. Kazachenko, Noureddine Issaoui

    Maqola20227 iqtibos
    ABI

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

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

    MaqolaOchiq kirish20203 iqtibos
    ABI

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

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

    Maqola20212 iqtibos
    ABI

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

    Aleksandr 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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    Boshqa1 iqtibos
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    Boshqa1 iqtibos
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    Boshqa1 iqtibos
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  25. Sarlavhasiz

    Boshqa1 iqtibos
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