Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2, 4 …
Abstract (E)-1-[(2, 4, 6-Tribromophenyl) diazenyl]-naphthalen-2-ol azo dye, an organic
crystal, was fully characterized by three reliable spectroscopic techniques (Fourier-transform …
crystal, was fully characterized by three reliable spectroscopic techniques (Fourier-transform …
Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5 …
In a previous study, the 1-(4-fluorobenzyl)-5-bromolindolin-2, 3‑dione (FBID) molecule was
synthesized by adding isatin and K 2 CO 3 to acetonitrile, followed by the addition of 4 …
synthesized by adding isatin and K 2 CO 3 to acetonitrile, followed by the addition of 4 …
Synthesis, crystallographic and spectroscopic investigation, chemical reactivity, hyperpolarizabilities and in silico molecular docking study of (Z)-2N-(tert‑butylimino) …
This study presents the results related to the synthesis of (Z)-2N-(tert‑butylimino)-3N'-(4-
methoxyphenyl) thiazolidin-4-one (TMTh) and its characterization by X-ray diffraction and …
methoxyphenyl) thiazolidin-4-one (TMTh) and its characterization by X-ray diffraction and …
Synthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4, 5-Dihydro-1, 3, 4-Thiadiazol-2-yl)-N-Phenyl Acetamide
The special properties of organic compounds are due to the polyvalence of the carbon atom.
In this research, the organic single crystal of N-(4-acetyl− 5-(4-(nitro) phenyl)− 4, 5-dihydro …
In this research, the organic single crystal of N-(4-acetyl− 5-(4-(nitro) phenyl)− 4, 5-dihydro …
Degree-based topological indices, quantum computational, molecular docking and biological evaluations of o-nitroacetanilide
In this current work, the solute–solvent, electron behavior, wave function, and biological
properties of o-nitroacetanilide were computed using a B3LYP/6–311++ G (d, p) set. The …
properties of o-nitroacetanilide were computed using a B3LYP/6–311++ G (d, p) set. The …
Improving the Electrical Conductivity of the Composite Comprising Bismuth Oxide, Activated Carbon, and Graphite for Use as a Battery Anode
Y Astuti, FA Zaqia, AZ Ekaningsih… - Indonesian Journal of …, 2023 - journal.ugm.ac.id
This research is concerned with the synthesis and characterization of a composite material
that may be used as a battery electrode. Bismuth oxide (Bi 2 O 3) was synthesized from Bi …
that may be used as a battery electrode. Bismuth oxide (Bi 2 O 3) was synthesized from Bi …
Structural, Spectroscopic and Molecular Characterization of an Asymmetric Schiff Base Compound
((E)-((2-(((E)-2-hydroxy-3-methylbenzylidene) amino) benzyl) imino) methyl)-6-
methylphenol, C23H22N2O2, was synthesized by the reaction between 2-hydroxy-3 …
methylphenol, C23H22N2O2, was synthesized by the reaction between 2-hydroxy-3 …
Synthesis, Thermal, DFT Calculations, HOMO-LUMO, MEP, and Molecular Docking Analysis of New Derivatives of Imidazolin-4-Ones
K Merdja, CK Bendeddouche, M Drissi… - Indonesian Journal …, 2023 - dev.journal.ugm.ac.id
This work focuses on synthesizing new imidazolin-4-one derivatives (2a-c), akin to
leucettamine B analogs, via microwave-assisted transamination reactions. This reaction was …
leucettamine B analogs, via microwave-assisted transamination reactions. This reaction was …
Synthesis, Thermal, DFT Calculations, HOMO-LUMO, MEP, and Molecular Docking Analysis of New Derivatives of Imidazolin-4-Ones
K Merdja, CK Bendeddouche, M Drissi… - Indonesian Journal of … - journal.ugm.ac.id
This work focuses on synthesizing new imidazolin-4-one derivatives (2a-c), akin to
leucettamine B analogs, via microwave-assisted transamination reactions. This reaction was …
leucettamine B analogs, via microwave-assisted transamination reactions. This reaction was …
Dft, Solute-Solvent, Wave Function, Topological Indices and Biological Assessments of O-Nitroacetanilide
T Gnanasambandan, E Dhanalakshmi… - Topological Indices and … - papers.ssrn.com
In this current work, the solute-solvent, electron behavior, wave function, and biological
properties of o-nitroacetanilide were computed using a B3LYP/6–311++ G (d, p) set. The …
properties of o-nitroacetanilide were computed using a B3LYP/6–311++ G (d, p) set. The …