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49 ta ish

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

  1. Nonlinear Dielectric Polarization in Optical Media

    D. A. Kleinman

    Maqola19623 iqtibos
    ABI

  2. A proton transfer compound template phenylethylamine: Synthesis, a collective experimental and theoretical investigations

    Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel +1

    Maqola20193 iqtibos
    ABI

  3. Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational study

    Sofian Gatfaoui, Noureddine Issaoui, Silvia Antonia Brandán +5

    Maqola20213 iqtibos
    ABI

  4. Donor acceptor groups effect, polar protic solvents influence on electronic properties and reactivity of 2-Chloropyridine-4-carboxylic acid

    S. Selvakumari, C. Venkataraju, S. Muthu +2

    Maqola20223 iqtibos
    ABI

  5. Theoretical investigation of the electronic structure of 1-(3,4; 3,5 and 3,6-bis-selenocyanato-phenyl) pyrrolidinofullerenes

    Abraham F. Jalbout, Bartosz Trzaskowski, Ali Jameel Hameed

    Maqola20062 iqtibos
    ABI

  6. A theoretical study of the interactions between N, N-dimethylformamide and aromatic hydrocarbons

    Yanyan Shan, Xiao-Hui Ren, Haijun Wang +1

    Maqola20072 iqtibos
    ABI

  7. 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

  8. 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

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