Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti …

FH Al-Ostoot, P Akhileshwari, VH Kameshwar… - Heliyon, 2024 - cell.com
This study explores the pharmacological potential of chalcones through a multidisciplinary
approach, including synthesis, quantum theory, molecular electrostatics, and density …

Studies on New Imidazo [2, 1-b][1, 3, 4] thiadiazole Derivatives: Molecular Structure, Quantum Chemical Computational, and In silico Study of Inhibitory Activity Against …

HA Khamees, MS Srinivas, O Nagaraja… - Journal of Molecular …, 2023 - Elsevier
Imidazothiadiazole derivatives (KITD4 and KITD10) have been synthesized and
characterized by NMR (1 H& 13 C) spectra and single-crystal X-ray diffraction techniques …

Optical limiting and third-order nonlinear optical properties of thiazole-based chalcone derivative: Insights from experimental and theoretical approaches

K Venkatesha, MS Srinivas, A Swamynayaka… - Optical Materials, 2024 - Elsevier
The current study delves into exploring the linear and nonlinear optical properties of (E)-3-(4-
methylthiazole-5-yl)-1-(3-nitrophenyl) prop-2-en-1-one (MNP) through a combined approach …

Electropolymerization of Thiophene‐Based Monomers with Different Spatial Structures: The Impact of Monomer Structure on Electrochromic Properties

Y Zhang, R Li, L Chang, Y Ma, Y Hou… - … Chemistry and Physics, 2022 - Wiley Online Library
The development prospect of conductive electrochromic (EC) polymers requires the design
of polymers with high performance and good stability. Here, a new scheme is designed to …