Open AccessStructures, vibrational spectra and HOMO-LUMO analysis of 3-Mercapto-4-methyl-4H-1, 2, 4-triazole: an organic electroluminescent materials
Author(s) -
Yaping Tao,
Liang Han,
Zhaojun Liu
Publication year - 2018
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/439/2/022018
Subject(s) - tautomer , homo/lumo , electroluminescence , density functional theory , basis set , raman spectroscopy , molecule , chemistry , infrared spectroscopy , computational chemistry , materials science , photochemistry , stereochemistry , organic chemistry , physics , layer (electronics) , optics