Selection of active phase of MnO2 for catalytic ozonation of 4-nitrophenol

F Nawaz, H Cao, Y Xie, J Xiao, Y Chen, ZA Ghazi - Chemosphere, 2017 - Elsevier
Catalytic ozonation is a highly effective method in wastewater treatment, and MnO 2
materials are widely recognized as active heterogeneous catalysts in this process. Many …

Removal of p-nitrophenol (PNP) in aqueous solution by the micron-scale iron–copper (Fe/Cu) bimetallic particles

B Lai, Y Zhang, Z Chen, P Yang, Y Zhou… - Applied Catalysis B …, 2014 - Elsevier
In this study, in order to further investigate the degradation capacity and mechanism of
Fe/Cu bimetallic system, the prepared Fe/Cu bimetallic particles with different theoretical …

[HTML][HTML] Indole-based conjugated macromolecules as a redox-mediated electrolyte for an ultrahigh power supercapacitor

T Xiong, WSV Lee, L Chen, TL Tan… - Energy & …, 2017 - pubs.rsc.org
Balancing energy density and power density has been a critical challenge since the
inception of supercapacitors. Introducing redox-active additives in the supporting electrolyte …

Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid

P Govindasamy, S Gunasekaran… - Spectrochimica Acta Part A …, 2014 - Elsevier
The Fourier transform infrared (FT-IR) and FT-Raman spectra of 2-acetoxybenzoic acid
(2ABA), a painkiller agent were recorded in the region 4000–450 cm− 1 and 5000–50 cm− 1 …

Vibrational (FT-IR and FT-Raman), electronic (UV–vis) and quantum chemical investigations on pyrogallol: A study on benzenetriol dimers

S Selvaraj, P Rajkumar, K Thirunavukkarasu… - Vibrational …, 2018 - Elsevier
Pyrogallol was identified for the first time from the natural extract of Abrus precatorius Linn
seeds using GC–MS technique. The vibrational analysis of pyrogallol was investigated in …

Synthesis, crystal structure analysis, spectral IR, NMR UV–Vis investigations, NBO and NLO of 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide with use of …

S Demir, AO Sarioğlu, S Güler, N Dege… - Journal of Molecular …, 2016 - Elsevier
Abstract The title compound, 2-benzoyl-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
compound (C 22 H 16 NO 3 Cl) has been synthesized and characterized by X-ray diffraction …

Structural, electronic and NLO properties of 6-aminoquinoline: a DFT/TD-DFT study

N Pandey, MS Mehata, S Pant, N Tewari - Journal of Fluorescence, 2021 - Springer
A computational study based on the DFT/TD-DFT approach was performed to explore
various properties of 6-aminoquinoline (6AQ). The geometrical parameters, molecular …

Design, synthesis, characterization, cytotoxicity, molecular docking and analysis of binding interactions of novel acetylacetonatopalladium (II) alanine and valine …

A Heydari, H Mansouri-Torshizi - RSC advances, 2016 - pubs.rsc.org
To enhance the development of potential anti-tumor agents, a pair of new, water-soluble and
neutral acetylacetonatopalladium (II) complexes with alanine and valine amino acids have …

Theoretical calculations and spectroscopic analysis of gaussian computational examination-NMR, FTIR, UV-Visible, MEP on 2, 4, 6-Nitrophenol

D Mamand - Journal of Physical Chemistry and Functional Materials, 2019 - dergipark.org.tr
Quantum computational is a significant method to explain and investigation the electronic
construction (ground state basically) of many-body systems, in particular atoms, molecules …

Crystal Growth, Structural, Vibrational, Effects of Hydrogen Bonding (CH… O and CH… N), Chemical Reactivity, Antimicrobial Activity, Inhibitory Effects and Molecular …

E Bravanjalin Subi, D Arul Dhas… - Polycyclic Aromatic …, 2023 - Taylor & Francis
The present study aims to provide deeper knowledge about the structural, vibrational,
chemical, antimicrobial activity, molecular dynamic simulation and drug likeness of …