Open AccessStructural and Theoretical Study Based on DFT Calculations of 3-Methyl-4-[3-ethoxy-(2-p-metilbenzenesulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one
Author(s) -
Gül Kotan,
Faruk Kardaş
Publication year - 2021
Publication title -
international journal of chemistry and technology
Language(s) - English
Resource type - Journals
ISSN - 2602-277X
DOI - 10.32571/ijct.900979
Subject(s) - electronegativity , molecule , ionization energy , electron affinity (data page) , homo/lumo , mulliken population analysis , chemistry , dipole , computational chemistry , chemical shift , density functional theory , carbon 13 nmr , molecular orbital , alkoxy group , ionization , alkyl , stereochemistry , organic chemistry , ion