• Title of article

    Quantum-chemical modeling of the stacking mechanism for the 1H-4H proton transfer in pyridine derivatives. A DFT study

  • Author/Authors

    Kereselidze, Jumber Department of Chemistry - Tbilisi State University , Kvaraia, Marine Department of Chemistry - Sukhumi State University , Mikuchadze, George Department of Chemistry - Tbilisi State University

  • Pages
    3
  • From page
    277
  • To page
    279
  • Abstract
    The stacking mechanism of the 1H-4H proton transfer in 4-pyridone, 4-pyridinthione and p-aminopyridine are constructed. For quantitative description of this process by means of the quamtumchemical method density functional theory (DFT) the activation energy (
  • Keywords
    DFT calculations , Stacking mechanism , Proton transfer , Pyridine derivatives
  • Journal title
    Astroparticle Physics
  • Serial Year
    2015
  • Record number

    2422990

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=2422990