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39 ta ish

Ish: 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

    Maqola2011110 iqtibos
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199677 iqtibos
    ABI

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

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

    MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 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. 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

  6. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    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

    Maqola20229 iqtibos
    ABI

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

    Neelam Chetry, Th. Gomti Devi

    Maqola20218 iqtibos
    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

    Maqola19865 iqtibos
    ABI

  10. Blue-Shifting Hydrogen Bonds

    Pavel Hobza, Zdeněk Havlas

    Sharh maqola20004 iqtibos
    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

    Maqola20073 iqtibos
    ABI

  12. Chapter 5 Understanding and using the electron localization function

    Patricio Fuentealba, Eduardo Chamorro, Juan C. Santos

    Bob20073 iqtibos
    ABI

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

    Frank H. Allen

    Maqola20023 iqtibos
    ABI

  14. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

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

    P. Gilli, Gastone Gilli

    Maqola20102 iqtibos
    ABI

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

    Anthony J. Stone

    Maqola20172 iqtibos
    ABI

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

    Houcine Ghalla, Noureddine Issaoui, Fehmi Bardak +1

    Maqola20182 iqtibos
    ABI

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

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

    Maqola20182 iqtibos
    ABI

  19. “STRONG” HYDROGEN BONDS IN CHEMISTRY AND BIOLOGY

    Charles L. Perrin, Jennifer B. Nielson

    Sharh maqola19972 iqtibos
    ABI

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

    Adam Allerhand, Paul von Ragué Schleyer

    Maqola19632 iqtibos
    ABI

  21. What Is the Covalency of Hydrogen Bonding?

    Sławomir J. Grabowski

    Sharh maqola20112 iqtibos
    ABI

  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI