[HTML][HTML] Theoretical design of D-π-A system new dyes candidate for DSSC application
Currently, dye-sensitized solar cells (DSSCs) are one of the energy technologies that has
piqued the interest of researchers, due to their distinct characteristics such as excellent air …
piqued the interest of researchers, due to their distinct characteristics such as excellent air …
Synthesis and investigations of reactive properties, photophysical properties and biological activities of a pyrazole-triazole hybrid molecule
In this work, we report the synthesis, spectroscopic characterization, reactivity study,
photophysical properties and evaluation of α-glucosidase inhibitory activity pyrazole-triazole …
photophysical properties and evaluation of α-glucosidase inhibitory activity pyrazole-triazole …
Investigations into the anti-inflammatory and anti-diabetic activity of newly synthesized derivatives of 4AP2BOB utilizing DFT, molecular docking and spectroscopic …
Utilizing cutting-edge spectroscopic techniques, including FT-IR, 1 H NMR and 13 C NMR,
we created and thoroughly evaluated novel forms of Acetamidophenyl-2-(benzoyloxy) …
we created and thoroughly evaluated novel forms of Acetamidophenyl-2-(benzoyloxy) …
Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9, 10 …
The structural geometry, vibrational wavenumbers (FT-IR and Raman), 1 H and 13 C NMR
chemical shifts and UV–vis. electronic absorption wavelengths of N-(12-amino-9, 10-dihydro …
chemical shifts and UV–vis. electronic absorption wavelengths of N-(12-amino-9, 10-dihydro …
Thiol–thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV–vis) properties and DFT computations of 5-(3-pyridyl)-4H-1, 2, 4-triazole-3-thiol …
Abstract In this study, the 5-(3-pyridyl)-4H-1, 2, 4-triazole-3-thiol molecule (C 7 H 6 N 4 S)
molecule has been characterized by using FT-IR, Laser-Raman, NMR and UV–vis …
molecule has been characterized by using FT-IR, Laser-Raman, NMR and UV–vis …
Novel triphenylamine-based porphyrins: synthesis, structural characterization, and theoretical investigation for dye-sensitized solar cell applications
HM Abdel-Wahed, AA Fadda, E Abdel-Latif… - Journal of Molecular …, 2023 - Elsevier
In this work, we have synthesized a series of novel porphyrin derivatives, 8, 12, and 16 in
high yields. The new porphyrin derivatives are equipped with different aromatic substituents …
high yields. The new porphyrin derivatives are equipped with different aromatic substituents …
Antileishmanial activity study and theoretical calculations for 4-amino-1, 2, 4-triazole derivatives
amino-1, 2, 4-triazole derivatives; 4-amino-1-((5-mercapto-1, 3, 4-oxadiazole-2-yl) methyl)-3-
(thiophene-2-ylmethyl)-1H-1, 2, 4-triazole-5 (4H)-one (1) and 4-amino-1-((4-amino-5 …
(thiophene-2-ylmethyl)-1H-1, 2, 4-triazole-5 (4H)-one (1) and 4-amino-1-((4-amino-5 …
1, 2, 3-triazole derivative: Synthesis, characterization, DFT, molecular docking study and antibacterial-antileishmanial activities
F Celik, R Ustabaş, N Süleymanoğlu, Ş Direkel… - Journal of the Indian …, 2021 - Elsevier
Abstract In this study, 4-((1-(4-chlorobenzyl)-1H-1, 2, 3-triazole-4-yl) methoxy)-3-
methoxybenzaldehyde (I) was synthesized and molecular structure of compound I was …
methoxybenzaldehyde (I) was synthesized and molecular structure of compound I was …
Molecular property analysis of the interacting state of L-Threonine and Metformin: An experimental and computational approach
B Borah, TG Devi - Journal of Molecular Structure, 2020 - Elsevier
The current work is undertaken to elucidate the interaction between L-Threonine and
Metformin (a type2 diabetes drug) using the theoretical method as well as the experimental …
Metformin (a type2 diabetes drug) using the theoretical method as well as the experimental …
Synthesis, characterization, biological activity and theoretical studies of a 2-amino-6-methoxybenzothiazole-based fluorescent Schiff base
A new Schiff base,(E)-3, 5-dimethoxy-2-((6-methoxybenzo [d] thiazol-2-ylimino) methyl)-
phenol, was prepared from the reaction of 2-amino-6-methoxybenzothiazole and 2-hydroxy …
phenol, was prepared from the reaction of 2-amino-6-methoxybenzothiazole and 2-hydroxy …