Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives
G Kirishnamaline, JD Magdaline… - Journal of Molecular …, 2021 - Elsevier
Quantum chemical computations and in silico biological evaluation of three substituted
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …
Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4 …
O Kourat, A Djafri, N Benhalima, Y Megrouss… - Journal of Molecular …, 2020 - Elsevier
Abstract In this work,(E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
monohydrate (NBQA) crystal was synthesized and its structural characterization was carried …
monohydrate (NBQA) crystal was synthesized and its structural characterization was carried …
Modeling the structural and reactivity properties of capsaicin [(E)-N-[(4-hydroxy-3-methoxyphenyl) methyl]-8-methylnon-6-enamide] wavefunction-dependent …
In red chili pepper (Capsicum annum L.) Phytochemical extraction methods like the Soxhlet
Extraction Method are carried out. The GC–MS analyses are performed on the methanolic …
Extraction Method are carried out. The GC–MS analyses are performed on the methanolic …
Structural, Spectroscopic, and CH... O Hydrogen Bonding Interaction on Structure (Monomer and Dimer) Vibrational Spectroscopic, Fukui, NCI, AIM, and RDG Analysis …
DA Dhas, S Balachandran - Polycyclic Aromatic …, 2023 - search.ebscohost.com
The prospective compound pencycuron (PNC) was probed using FT-IR, FT-Raman, NMR,
and UV-Vis spectra and quantum chemical computation. Vibrational assignment pertaining …
and UV-Vis spectra and quantum chemical computation. Vibrational assignment pertaining …
Structural activity (monomer and dimer), spectroscopic analysis, chemical reactivity, fungicidal activity and molecular dynamics simulation of phenyl benzamide …
The present study aims to provide deeper knowledge of the structural activity, spectroscopic
analysis, chemical reactivity and fungicidal activity of phenyl benzamide fungicides: flutolanil …
analysis, chemical reactivity and fungicidal activity of phenyl benzamide fungicides: flutolanil …