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58 ta ish

Ish: Intermolecular interactions in acetate esters: a Raman spectroscopy and theoretical analysis of the non-coincidence effect

  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. Novel Approaches in Spectroscopy of Interparticle Inter-Actions. Vibrational Line Profiles and Anomalous Non-Coincidence Effects

    S. А. Kirillov

    Bob200416 iqtibos
    ABI

  4. <i>CrystalExplorer</i>model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Campbell F. R. Mackenzie, Peter R. Spackman, Dylan Jayatilaka +1

    Maqola201714 iqtibos
    ABI

  5. 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

  6. Raman and ab initio study of intermolecular interactions in aniline

    А. Jumabaev, Bekzod Khudaykulov, I. Doroshenko +2

    MaqolaMolecular spectroscopy and chiralityVibrational Spectroscopy202210 iqtibos
    ABI

  7. Aggregation of molecules in liquid methyl alcohol and its solutions: Raman spectra and ab initio calculations

    F. H. Tukhvatullin, V. Pogorelov, А. Jumabaev +3

    MaqolaSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure200710 iqtibos
    ABI

  8. Quantum Mechanical Continuum Solvation Models

    Jacopo Tomasi, Benedetta Mennucci, Roberto Cammi

    Sharh maqola20059 iqtibos
    ABI

  9. Revealing Noncovalent Interactions

    Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez +3

    Maqola20109 iqtibos
    ABI

  10. Polarized components of Raman spectra of O–H vibrations in liquid water

    F. H. Tukhvatullin, V. Ye. Pogorelov, А. Jumabaev +3

    MaqolaQuantum, superfluid, helium dynamicsJournal of Molecular Liquids20118 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20157 iqtibos
    ABI

  12. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

    А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6

    MaqolaNonlinear Optical Materials ResearchOptical Materials20256 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20155 iqtibos
    ABI

  14. Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

    Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2

    MaqolaMachine Learning in Materials ScienceInorganic Chemistry Communications20243 iqtibos
    ABI

  15. Local order and transition dipole coupling in liquid methanol and acetone as the origin of the Raman noncoincidence effect

    Hajime Torii, Mitsuo Tasumi

    Maqola19933 iqtibos
    ABI

  16. The Raman noncoincidence effect in dipolar binary mixtures

    David E. Logan

    Maqola19893 iqtibos
    ABI

  17. Raman Study of Liquids. I. Theory of the Raman Spectra of Diatomic Molecules in Inert Solutions

    S. Bratos, Éric Maréchal

    Maqola19713 iqtibos
    ABI

  18. The influence of angular dependent intermolecular forces on vibrational spectra of solution phase molecules

    Jeanne L. McHale

    Maqola19813 iqtibos
    ABI

  19. The non-coincidence effect in the raman spectra of polar liquids

    David E. Logan

    Maqola19863 iqtibos
    ABI

  20. Solvent dependent frequency shift and Raman noncoincidence effect of SO stretching mode of Dimethyl sulfoxide in liquid binary mixtures

    Ganesh Upadhyay, Th. Gomti Devi, Ranjan K. Singh +2

    Maqola20133 iqtibos
    ABI

  21. The non-coincidence effect in N,N-dimethylformamide-CCl <sub>4</sub> highly diluted binary mixtures. Experimental and theoretical results

    Maria Grazia Giorgini, Maurizio Musso, A. ASENBAUM +1

    Maqola20003 iqtibos
    ABI

  22. The concentration dependence of the vibrational linewidth and shift in liquid binary mixtures: An analytical model

    Ernst‐Walter Knapp, Sighart F. Fischer

    Maqola19823 iqtibos
    ABI

  23. Polarized components of C=O vibrations Raman spectra for ethylacetate, acetone, and aggregation of molecules

    F. H. Tukhvatullin, А. Jumabaev, U. N. Tashkenbaev +2

    MaqolaMolecular spectroscopy and chiralityProceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE20022 iqtibos
    ABI

  24. Synthesis, X-ray crystallography, vibrational spectroscopy, thermal and DFT studies of (E)-6-(4-methylstyryl)-4,5-dihydropyridazin-3(2H)-one

    Said Daoui, Cemile Baydere, Feride Akman +6

    Maqola20202 iqtibos
    ABI

  25. Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound

    Sevgi Kansız, Mohammad Azam, Taşkın Basılı +6

    Maqola20222 iqtibos
    ABI