Raman and Infrared Spectral Analysis, Normal Coordinate Analysis, DFT calculations of Novel Schiff Base Containing di-imine moieties

A Nasser, MA Migahed, NM EL Basiony… - Egyptian Journal of …, 2023 - journals.ekb.eg
The Raman (3500− 100 cm-1) and mid-infrared (4000− 400 cm-1) spectra in addition to the
1H NMR chemical shifts (δ, ppm) of ((N1Z, N4E)-N1, N4-bis (4 (dimethylamino) benzylidene) …

Inhibition of -lactamase by Novel Benzothiazole-Coupled Azetidinone Derivatives: A Comprehensive Study Using an In silico and In vitro Approaches Against Multi …

GD Rajesh, AJ Koshy, SD Akshay… - Journal of …, 2024 - World Scientific
Anti-microbial resistance has emerged as the leading cause of death worldwide with the rise
of multidrug-resistant (MDR) bacteria, the need for novel anti-microbials to treat serious …

Calculation of some theoretical properties of 3-(p-methoxybenzyl)-4-(4-hydroxybenzylidenamino)-4, 5-dihydro-1H-1, 2, 4-triazol-5-one with DFT

S Boy, G Kotan, H Yuksek - The Eurasia Proceedings of Science …, 2022 - epstem.net
In this study, the quantum chemical computations of 3-(p-methoxybenzyl)-4-(4-
hydroxybenzylidenamino)-4, 5-dihydro-1H-1, 2, 4-triazol-5-one that is a triazole derivaties …

Theoretical (B3lyp) and Spectroscopic (Ft-Ir, 1h-Nmr and 13c-Nmr) Investigation of 2-Methoxy-6-[(3-(P-Methylbenzyl)-4, 5-Dihydro-1h-1, 2, 4-Triazol-5-One-4-Yl) …

G Kotan, H Yuksek - The Eurasia Proceedings of Science Technology …, 2022 - epstem.net
Density functional theory (DFT) is an inexpensive approach used to study the molecular
structure, many theoretical properties, biological activities and electronic properties of simple …

Experimental (Ft-Ir, 13c/1h-Nmr) and Dft Studies of 3-(P-Methylbenzyl)-4-(4-Methylthiobenzylidenamino-4, 5-Dihydro-1h-1, 2, 4-Triazol-5-One

G Kotan, M Beytur, H Yuksek - The Eurasia Proceedings of Science …, 2022 - epstem.net
The 3-(p-Methylbenzyl)-4-(4-methylthiobenzylidenamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-
one Schiff base was synthesized for investigated some theoretical properties. Firstly, the …

[PDF][PDF] ANTIFUNGAL PROPERTIES OF 1, 2, 4-TRIAZOLES

G KOTAN, H MEDETALİBEYOĞLU - isres.org
Five-membered sp2 hybridization compounds known as 1, 2, 4-triazoles have three nitrogen
atoms positioned at the ring's 1, 2, and 4 locations. 4H-1, 2, 4-triazole and 1H-1, 2, 4-triazole …