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Иш: Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Мақола198884 иқтибос
    ABI

  3. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

  4. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Мақола196544 иқтибос
    ABI

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

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

    Мақола200727 иқтибос
    ABI

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

    S. А. Kirillov

    Боб200416 иқтибос
    ABI

  7. Study of formamide molecular clusters by Raman spectroscopy and quantum-chemical calculations

    H. Hushvaktov, Bekzod Khudaykulov, А. Jumabaev +3

    МақолаSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals202213 иқтибос
    ABI

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

    Timo Koopmans

    Мақола193412 иқтибос
    ABI

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

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

    МақолаSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure200710 иқтибос
    ABI

  10. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

    Axel D. Becke

    Мақола19929 иқтибос
    ABI

  11. Revealing Noncovalent Interactions

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

    Мақола20109 иқтибос
    ABI

  12. 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

    МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 иқтибос
    ABI

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

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 иқтибос
    ABI

  14. Spectroscopic and quantum chemical computation on molecular structure, AIM, ELF, RDG, NCI, and NLO activity of 4-VINYL benzoic acid: A DFT approach

    R. Sukanya, D. Aruldhas, I. Hubert Joe +1

    Мақола20217 иқтибос
    ABI

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

    Jun Zhang, Michael Dolg

    Мақола20157 иқтибос
    ABI

  16. Classification of chemical bonds based on topological analysis of electron localization functions

    Bernard Silvi, Andreas Savin

    Мақола19946 иқтибос
    ABI

  17. Local order and vibrational coupling in solutions of polar molecules

    Paolo Mirone, Giancarlo Fini

    Мақола19796 иқтибос
    ABI

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

    Jun Zhang, Michael Dolg

    Мақола20155 иқтибос
    ABI

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

    Hajime Torii, Mitsuo Tasumi

    Мақола19933 иқтибос
    ABI

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

    S. Bratos, Éric Maréchal

    Мақола19713 иқтибос
    ABI

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

    David E. Logan

    Мақола19863 иқтибос
    ABI

  22. 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

    Мақола20133 иқтибос
    ABI

  23. 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

    Мақола20003 иқтибос
    ABI

  24. Structural, electronic and vibrational properties of L-asparagine

    U.A. Holikulov

    МақолаDNA and Nucleic Acid Chemistry«Узбекский физический журнал»20233 иқтибос
    ABI

  25. Raman spectra of S=O vibrations of dimethylsulphoxide in liquid state

    А. Jumabaev, F. H. Tukhvatullin, U. N. Tashkenbaev +1

    МақолаChemical Thermodynamics and Molecular StructureProceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE20022 иқтибос
    ABI