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38 ta ish

Ish: Hydroxyethyl Urea Crystal Hydrate: Experimental and Theoretical Study

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 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

    Maqola198884 iqtibos
    ABI

  3. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199677 iqtibos
    ABI

  4. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

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

    Stefan Grimme, Stephan Ehrlich, Lars Goerigk

    Maqola201125 iqtibos
    ABI

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

    Enrique Espinosa, Elı́es Molins, Claude Lecomte

    Maqola199816 iqtibos
    ABI

  7. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    ABI

  8. 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

    MaqolaNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 iqtibos
    ABI

  9. Atoms in Molecules

    Richard F. W. Bader

    Kitob199011 iqtibos
    ABI

  10. Noncovalent interactions in N-methylurea crystalline hydrates

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

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    ABI

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

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

    MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
    ABI

  12. 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, Аleksandr S. Kazachenko

    Maqola20209 iqtibos
    ABI

  13. 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

  14. 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 Modeling20248 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20157 iqtibos
    ABI

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

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

    MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20155 iqtibos
    ABI

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

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

    Maqola20224 iqtibos
    ABI

  19. The Hydrogen Bond in the Solid State

    Thomas Steiner

    Maqola20024 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

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

    Maqola20213 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

    Maqola20102 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

    Аleksandr S. Kazachenko, Feride Akman, Mouna Medimagh +7

    Maqola20212 iqtibos
    ABI