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Ushbu ish iqtibos qilgan ishlar

38 ta ish

Ish: Hydroxyethyl Urea Crystal Hydrate: Experimental and Theoretical Study

  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 thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Maqola199399 iqtibos
    ABI

  4. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199691 iqtibos
    ABI

  5. Effect of the damping function in dispersion corrected density functional theory

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201132 iqtibos
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199818 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. Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

    А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7

    MaqolaThermodynamic properties of mixturesJournal of Molecular Modeling202413 iqtibos
    ABI

  10. Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions

    Utkirjon Holikulov, Masrur Khodiev, Noureddine Issaoui +3

    MaqolaOchiq kirishNonlinear Optical Materials ResearchJournal of King Saud University - Science202412 iqtibos
    ABI

  11. Noncovalent interactions in N-methylurea crystalline hydrates

    Aleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202311 iqtibos
    ABI

  12. Theoretical and experimental approach on investigation of ethylurea-water clusters

    Aleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202311 iqtibos
    ABI

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

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

    MaqolaOchiq kirish202210 iqtibos
    ABI

  14. Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

    Feride Akman, Noureddine Issaoui, Aleksandr S. Kazachenko

    Maqola20209 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20158 iqtibos
    ABI

  16. The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin

    Utkirjon Holikulov, Aleksandr S. Kazachenko, Noureddine Issaoui +4

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20247 iqtibos
    ABI

  17. The Hydrogen Bond in the Solid State

    Thomas Steiner

    Maqola20027 iqtibos
    ABI

  18. Global optimization of clusters of rigid molecules using the artificial bee colony algorithm

    Jun Zhang, Michael Dolg

    Maqola20155 iqtibos
    ABI

  19. Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis

    Aleksandr S. Kazachenko, Mouna Medimagh, Noureddine Issaoui +6

    MaqolaOchiq kirish20224 iqtibos
    ABI

  20. FT-IR Investigation of the N-methylurea State in AOT Reversed Micelles

    Giuseppe Calvaruso, Angela Ruggirello, Vincenzo Turco Liveri

    Maqola20023 iqtibos
    ABI

  21. Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

    Aleksandr S. Kazachenko, Feride Akman, Hafedh Abdelmoulahi +4

    MaqolaOchiq kirish20213 iqtibos
    ABI

  22. Urea Derivatives in Modern Drug Discovery and Medicinal Chemistry

    Arun K. Ghosh, Margherita Brindisi

    Maqola20193 iqtibos
    ABI

  23. Spectroscopic investigations and quantum chemical computational study of (E)-4-methoxy-2-[(p-tolylimino)methyl]phenol

    Başak Koşar, Ç. Albayrak

    MaqolaOchiq kirish20102 iqtibos
    ABI

  24. Synthesis of Unsymmetrical Urea Derivatives via PhI(OAc)2 and Application in Late-Stage Drug Functionalization

    Subban Kathiravan, Prakriti Dhillon, Tianshu Zhang +1

    Maqola20242 iqtibos
    ABI

  25. 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