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Иш: Estimation of electrostatic and covalent contributions to the enthalpy of H-bond formation in H-complexes of 1,2,3-benzotriazole with proton-acceptor molecules by IR spectroscopy and DFT calculations

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

  3. Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії

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

    МақолаSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 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. 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

  6. Atoms in molecules

    R. F. W. Bader

    Мақола198514 иқтибос
    ABI

  7. Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

    Аleksandr S. Kazachenko, Noureddine Issaoui, Abir Sagaama +7

    Мақола20229 иқтибос
    ABI

  8. Intermolecular interaction study of l-Threonine in polar aprotic Solvent: Experimental and theoretical study

    Neelam Chetry, Th. Gomti Devi

    Мақола20218 иқтибос
    ABI

  9. Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3

    Alan E. Reed, Frank Weinhold, Larry A. Curtiss +1

    Мақола19865 иқтибос
    ABI

  10. Blue-Shifting Hydrogen Bonds

    Pavel Hobza, Zdeněk Havlas

    Шарҳ мақола20004 иқтибос
    ABI

  11. Infrared spectral density of hydrogen bonds within the strong anharmonic coupling theory: Quadratic dependence of the angular frequency and the equilibrium position of the fast mode

    Najeh Rekik, Houcine Ghalla, Noureddine Issaoui +2

    Мақола20073 иқтибос
    ABI

  12. Chapter 5 Understanding and using the electron localization function

    Patricio Fuentealba, Eduardo Chamorro, Juan C. Santos

    Боб20073 иқтибос
    ABI

  13. The Cambridge Structural Database: a quarter of a million crystal structures and rising

    Frank H. Allen

    Мақола20023 иқтибос
    ABI

  14. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  15. Hydrogen bond models and theories: The dual hydrogen bond model and its consequences

    P. Gilli, Gastone Gilli

    Мақола20102 иқтибос
    ABI

  16. Natural Bond Orbitals and the Nature of the Hydrogen Bond

    Anthony J. Stone

    Мақола20172 иқтибос
    ABI

  17. Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde

    Houcine Ghalla, Noureddine Issaoui, Fehmi Bardak +1

    Мақола20182 иқтибос
    ABI

  18. Hydrogen bonding from a valence bond theory perspective: the role of covalency

    Coleen T. Nemes, Croix J. Laconsay, John Morrison Galbraith

    Мақола20182 иқтибос
    ABI

  19. “STRONG” HYDROGEN BONDS IN CHEMISTRY AND BIOLOGY

    Charles L. Perrin, Jennifer B. Nielson

    Шарҳ мақола19972 иқтибос
    ABI

  20. <b>A Survey of C-H Groups as Proton Donors in Hydrogen Bonding</b>

    Adam Allerhand, Paul von Ragué Schleyer

    Мақола19632 иқтибос
    ABI

  21. What Is the Covalency of Hydrogen Bonding?

    Sławomir J. Grabowski

    Шарҳ мақола20112 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI