Solvent effect on the self-association of the 1,2,4-triazole: A DFT study
Masrur Khodiev, Utkirjon Holikulov, А. Jumabaev, Noureddine Issaoui, Lavrik Nikolay Lvovich, Omar M. Al-Dossary, Leda G. Bousiakoug
Topics & Concepts
ChemistryTrimerDimerHydrogen bondIntermolecular forcePolarizable continuum modelMolecular orbitalMonomerSolvent effectsComputational chemistryMoleculeSolventCrystallographyOrganic chemistryPolymerNonlinear Optical Materials ResearchCrystallography and molecular interactionsStructural and Chemical Analysis of Organic and Inorganic Compounds