Open AccessInvestigations of Structural Properties, Spectroscopic Aspects, Electronic and Thermodynamic Properties of 3-Benzyl-4-[3-(3-methoxybenzoxy)-benzylidenamino]-4,5-Dihydro-1H-1,2,4-Triazol-5-one with DFT/HF Basis Sets
Author(s) -
Hilal Medetalibeyoğlu,
Haydar Yüksek
Publication year - 2019
Publication title -
bilecik şeyh edebali üniversi̇tesi fen bilimleri dergisi
Language(s) - English
Resource type - Journals
ISSN - 2458-7575
DOI - 10.35193/bseufbd.567808
Subject(s) - molecule , chemical shift , chemistry , computational chemistry , homo/lumo , density functional theory , mulliken population analysis , carbon 13 nmr , proton nmr , molecular geometry , ground state , organic chemistry , atomic physics , physics