Перейти к основному содержанию
AkademIndex

Продукты

Для разработчиков

AkademBaseскороОткрытый API экосистемы
← Назад к работе

Работы, на которые ссылается эта работа

Работ: 39

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

  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. 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

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Статья1998Цитирований: 16
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Статья2000Цитирований: 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. Raman spectra and ab initio calculation of a structure of aqueous solutions of methanol

    H. Hushvaktov, F. H. Tukhvatullin, А. Jumabaev +4

    СтатьяSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure2016Цитирований: 9
    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. New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 M H<sub>2</sub>SO<sub>4</sub>, High Efficiency at Low Concentration: Experimental and Theoretical Studies

    Mahmood A. Albo Hay Allah, Asim A. Balakit, Hamida Idan Salman +2

    Статья2022Цитирований: 5
    ABI

  12. Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

    Necmi Dege, Halil Gökçe, Onur Erman Doĝan +4

    Статья2022Цитирований: 4
    ABI

  13. 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

    Статья2007Цитирований: 3
    ABI

  14. Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method

    Arulraj Ramalingam, Sivakumar Sambandam, Mouna Medimagh +3

    Статья2021Цитирований: 3
    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. IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part I: Anharmonic coupling parameter and temperature effects

    Najeh Rekik, Noureddine Issaoui, Houcine Ghalla +2

    Статья2007Цитирований: 2
    ABI

  17. Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects

    Noureddine Issaoui, Najeh Rekik, Brahim Oujia +1

    Статья2009Цитирований: 2
    ABI

  18. Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds

    Noureddine Issaoui, Najeh Rekik, Brahim Oujia +1

    Статья2008Цитирований: 2
    ABI

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

    P. Gilli, Gastone Gilli

    Статья2010Цитирований: 2
    ABI

  20. Recent Researches in Triazole Compounds as Medicinal Drugs

    Cheng‐He Zhou, Yajun Wang

    Обзорная статья2012Цитирований: 2
    ABI

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

    Anthony J. Stone

    Статья2017Цитирований: 2
    ABI

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

    Houcine Ghalla, Noureddine Issaoui, Fehmi Bardak +1

    Статья2018Цитирований: 2
    ABI

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

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

    Статья2018Цитирований: 2
    ABI

  24. Antibacterial activity study of 1,2,4-triazole derivatives

    Feng Gao, Tengfei Wang, Jiaqi Xiao +1

    Обзорная статья2019Цитирований: 2
    ABI

  25. Exploring recent developments on 1,2,4‐triazole: Synthesis and biological applications

    Reshma Sathyanarayana, Boja Poojary

    Статья2020Цитирований: 2
    ABI