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Работы, на которые ссылается эта работа

Работ: 64

Работа: The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Статья1996Цитирований: 77
    ABI

  3. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Статья2007Цитирований: 27
    ABI

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

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

    СтатьяSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics2022Цитирований: 19
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Статья1998Цитирований: 16
    ABI

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

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

    Статья2005Цитирований: 15
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Статья1985Цитирований: 14
    ABI

  8. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

    Timo Koopmans

    Статья1934Цитирований: 12
    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

    СтатьяNonlinear Optical Materials ResearchJournal of Molecular Liquids2023Цитирований: 8
    ABI

  10. 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

    Masrur Khodiev, Utkirjon Holikulov, Noureddine Issaoui +3

    СтатьяChemical Thermodynamics and Molecular StructureJournal of King Saud University - Science2022Цитирований: 8
    ABI

  11. The fundamental nature and role of the electrostatic potential in atoms and molecules

    Peter Politzer, Jane S. Murray

    Статья2002Цитирований: 8
    ABI

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

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    СтатьяNonlinear Optical Materials ResearchJournal of Molecular Liquids2023Цитирований: 7
    ABI

  13. Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent

    Аleksandr S. Kazachenko, Noureddine Issaoui, Mouna Medimagh +7

    Статья2022Цитирований: 7
    ABI

  14. The amazing potential of fungi: 50 ways we can exploit fungi industrially

    Kevin D. Hyde, Jianchu Xu, Sylvie Rapior +60

    Статья2019Цитирований: 4
    ABI

  15. DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound

    Mouna Medimagh, Cherifa Ben Mleh, Noureddine Issaoui +5

    Статья2022Цитирований: 3
    ABI

  16. Nonlinear Dielectric Polarization in Optical Media

    D. A. Kleinman

    Статья1962Цитирований: 3
    ABI

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

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

    Статья2020Цитирований: 3
    ABI

  18. Non covalent interactions and molecular docking studies on morphine compound

    Abir Sagaama, Noureddine Issaoui, Omar M. Al-Dossary +2

    Статья2021Цитирований: 3
    ABI

  19. Localized-orbital locator (LOL) profiles of chemical bonding

    Heiko Jacobsen

    Статья2008Цитирований: 3
    ABI

  20. On the Importance of CH/π and CH⋅⋅⋅HC Interactions in the Solid State Structure of 15‐Lipoxygenase Inhibitors Based on Eugenol Derivatives

    Masoud Mirzaei, Mohsen Nikpour, Antonio Bauzá +1

    Статья2015Цитирований: 3
    ABI

  21. Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT calculations

    Olfa Noureddine, Noureddine Issaoui, Mouna Medimagh +2

    Статья2021Цитирований: 3
    ABI

  22. Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems

    Peter Politzer, Jane S. Murray, Zenaida Peralta‐Inga

    Статья2001Цитирований: 2
    ABI

  23. Chemical Characterization and Molecular Dynamics Simulations of Bufotenine by Surface-Enhanced Raman Scattering (SERS) and Density Functional Theory (DFT)

    Xuanyi Wu, María Vega Cañamares, Ioanna Kakoulli +1

    Статья2022Цитирований: 2
    ABI

  24. An Experimental and Theoretical Study on Essential Oil of Aethionema sancakense: Characterization, Molecular Properties and RDG Analysis

    Azize Demirpolat, Feride Akman, Аleksandr S. Kazachenko

    Статья2022Цитирований: 2
    ABI

  25. RETRACTED: Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol by molecular docking

    Eze A. Adindu, Obinna C. Godfrey, Eyuwa I. Agwupuye +5

    Статья2023Цитирований: 2
    ABI