Synthesis, anticancer activity and molecular modeling study of novel substituted triazole linked tetrafluoronaphthalene hybrid derivatives
M Erdoğan, F Comert Onder - Journal of Biomolecular Structure …, 2024 - Taylor & Francis
To create some novel anticancer molecules, a library of novel series of various triazoles
linked to the hydroxyl group of 5, 6, 7, 8-tetrafluoronaphthalen-1-ol (3) was designed and …
linked to the hydroxyl group of 5, 6, 7, 8-tetrafluoronaphthalen-1-ol (3) was designed and …
Experimentical and Gaussian calculations of 3-Ethyl-4-(2-benzenesulfonyloxy)-benzylideneamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-one
3-Ethyl-4-(2-benzenesulfonyloxy)-benzylideneamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-one
has been optimized using the DFT/B3LYP and B3PW91 methods with the 6-311G (d, p) …
has been optimized using the DFT/B3LYP and B3PW91 methods with the 6-311G (d, p) …
[PDF][PDF] Investigation on molecular structure and electronic properties of zinc (II) complex with 2-acetylpyridinenicotinichydrazone ligand
G Ugurlu, A Harmankaya - The Eurasia Proceedings of Science …, 2022 - academia.edu
In the present study, the structural parameter, the electronic and nonlinear optical properties
of three Zn (II) halido complexes of the type [Zn (Hal) 2HL](Hal= Cl, 1; Br, 2; I, 3; HL= 2 …
of three Zn (II) halido complexes of the type [Zn (Hal) 2HL](Hal= Cl, 1; Br, 2; I, 3; HL= 2 …
Antimicrobial Activities of 3-Aryl-4-(benzenesulfonyloxy)-benzylideneamino-4, 5-dihyro-1H-1, 2, 4-triazol-5-one Compounds
ŞG Talay, E Koç, N Mutlu, G Özdemir… - Caucasian Journal of …, 2024 - dergipark.org.tr
Çalışmanın sentez bölümünde, ilk olarak 3 adet 3-aril-4-amino-4, 5-dihidro-1H-1, 2, 4-triazol-
5-on bileşiğinin bir benzaldehid türevi olan 3-etoksi-4-hidroksibenzaldehidin trietilamin …
5-on bileşiğinin bir benzaldehid türevi olan 3-etoksi-4-hidroksibenzaldehidin trietilamin …
Determination of Intermolecular Interactions of Nicotinamide Liganded Complexes of Co (II), Cu (II), Ni (II) and Zn (II) 4-Formilbenzoates by Hirshfeld Surface Analysis …
M Sertçelik - Caucasian Journal of Science, 2022 - dergipark.org.tr
CrystalExplorer program is a program that has been used frequently in the field of theoretical
chemistry in recent years and its popularity has increased. First of all, Hirshfeld surface …
chemistry in recent years and its popularity has increased. First of all, Hirshfeld surface …
Density Functional Theory and Ab Initio Hartree-Fock Computational Study of 2-[1-Acetyl-3-Methyl-4, 5-Dihydro-1H-1, 2, 4-Triazol-5-One-4-Yl]-Phenoxyacetic Acide
M Beytur, H Yuksek - The Eurasia Proceedings of Science Technology …, 2022 - epstem.net
In the present theoretical study, the 2-[1-acetyl-3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl]-phenoxyacetic acide was optimized by B3PW91 and HF methods 6-311+ G (dp) basis …
4-yl]-phenoxyacetic acide was optimized by B3PW91 and HF methods 6-311+ G (dp) basis …
2-((1H-indol-1-il)(naftalen-1-il) metil) fenol Bileşiğinin Sentezi ve NLO Özelliklerinin Quantum Kimyasal Hesaplamalarla İncelenmesi
Y Ulaş - Caucasian Journal of Science, 2022 - dergipark.org.tr
Bu çalışmada, 2-((1H-indol-1-il)(naftalen-1-il) metil) fenol bileşiği ilk kez sentezlenmiş olup,
yapısal analizi 1H-NMR, 13C-NMR, FT-IR gibi spektroskopik yöntemlerle deneysel ve teorik …
yapısal analizi 1H-NMR, 13C-NMR, FT-IR gibi spektroskopik yöntemlerle deneysel ve teorik …
2-(3-Methyl-4, 5-Dihydro-1H-1, 2, 4-Triazol-5-One-4-yl-Azomethine)-Phenyl Cinnamate: Theoretical and Experimentical Properties
In this study, theoretically spectral values of 2-(3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl-azomethine)-phenyl cinnamate was calculated according to Gaussian G09W software …
4-yl-azomethine)-phenyl cinnamate was calculated according to Gaussian G09W software …
Determination of HNP and pKa Values of Some 3-Alkyl (Aryl)-4-phthalimido-4, 5-dihydro-1H-1, 2, 4-triazol-5-one Compounds by Semi-Neutralization Method
H Yüksek, S Manap, G Özdemir - Caucasian Journal of Science, 2022 - dergipark.org.tr
In this study, the effects of solvents and molecular structure upon acidity, five 3-alkyl (aryl)-4-
phthalimido-4, 5-dihydro-1H-1, 2, 4-triazol-5-ones (3-7) were potentiometrically titrated with …
phthalimido-4, 5-dihydro-1H-1, 2, 4-triazol-5-ones (3-7) were potentiometrically titrated with …
Quantum Chemical Calculations of 3-Benzyl-4-(3-Ethoxy-2-(4-Toluenesulfonlyoxy)-Benzlyideneamino]-4, 5-Dihydro-1H-1, 2, 4-Triazol-5-One
BOY Songul, G Kotan, M Beytur, H Yuksek - The Eurasia Proceedings of …, 2022 - epstem.net
In this study, 3-Benzyl-4-(3-ethoxy-2-(4-toluenesulfonlyoxy)-benzlyideneamino]-4, 5-dihydro-
1H-1, 2, 4-triazol-5-one was theoretically investigated. Initialy, the molecule was optimized …
1H-1, 2, 4-triazol-5-one was theoretically investigated. Initialy, the molecule was optimized …