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39 ta ish

Ish: 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

    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. Self-Consistent Equations Including Exchange and Correlation Effects

    W. Kohn, L. J. Sham

    Maqola196544 iqtibos
    ABI

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

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

    Maqola200727 iqtibos
    ABI

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

    S. А. Kirillov

    Bob200416 iqtibos
    ABI

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

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

    MaqolaSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals202213 iqtibos
    ABI

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

    Timo Koopmans

    Maqola193412 iqtibos
    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

    MaqolaSpectroscopy and Quantum Chemical StudiesJournal of Molecular Structure200710 iqtibos
    ABI

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

    Axel D. Becke

    Maqola19929 iqtibos
    ABI

  11. Revealing Noncovalent Interactions

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

    Maqola20109 iqtibos
    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

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 iqtibos
    ABI

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

    Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev +4

    MaqolaNonlinear Optical Materials ResearchJournal of Molecular Liquids20237 iqtibos
    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

    Maqola20217 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20157 iqtibos
    ABI

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

    Bernard Silvi, Andreas Savin

    Maqola19946 iqtibos
    ABI

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

    Paolo Mirone, Giancarlo Fini

    Maqola19796 iqtibos
    ABI

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

    Jun Zhang, Michael Dolg

    Maqola20155 iqtibos
    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

    Maqola19933 iqtibos
    ABI

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

    S. Bratos, Éric Maréchal

    Maqola19713 iqtibos
    ABI

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

    David E. Logan

    Maqola19863 iqtibos
    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

    Maqola20133 iqtibos
    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

    Maqola20003 iqtibos
    ABI

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

    U.A. Holikulov

    MaqolaDNA and Nucleic Acid Chemistry«Узбекский физический журнал»20233 iqtibos
    ABI

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

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

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