Investigation on mechanism of the oleic acid/methyl oleate/diesel ternary compound collector in low-rank coal flotation
X Bao, Y Xing, Q Liu, J Liu, S Dai, X Gui, J Li, Z Yang - Fuel, 2022 - Elsevier
Polar and compound collectors are current research hotspots in the field of low-rank coal
(LRC) flotation. However, most studies only focus on the collecting ability of collectors while …
(LRC) flotation. However, most studies only focus on the collecting ability of collectors while …
Enhancing bio-aromatics yield in bio-oil from catalytic fast pyrolysis of bamboo residues over bi-metallic catalyst and reaction mechanism based on quantum …
The high oxygen content and complicated compounds of pyrolysis bio-oil limit its application
as a liquid fuel. In this study, bi-metallic modified HZSM-5 was used to enhance bio …
as a liquid fuel. In this study, bi-metallic modified HZSM-5 was used to enhance bio …
[HTML][HTML] Theoretical investigation, solvation effect, topology, NCI and molecular docking studies on potential Pemigatinib
T Kaviya, P Rajkumar, N Elangovan, T Arulmozhi… - Chemical Physics …, 2023 - Elsevier
The titled compound TA structure was optimized in B3LYP/cc-pVDZ basis set using
Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 …
Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 …
Computational investigation of molecular structure, spectral analysis, PES study and molecular docking studies of 4-(butan-2-ylideneamino) benzenesulfonamide
N Elangovan, S Sowrirajan, N Arumugam… - Journal of Molecular …, 2024 - Elsevier
Abstract The compound 4-(butan-2-ylideneamino) benzenesulfonamide (EMKNI) was
subjected to spectroscopic investigations, both experimental and theoretical in nature. The …
subjected to spectroscopic investigations, both experimental and theoretical in nature. The …
[HTML][HTML] Solid state synthesis of a fluorescent Schiff base (E)-1-(perfluorophenyl)-N-(o-toly) methanimine followed by computational, quantum mechanical and …
The compound was synthesized and characterized with Infrared, UV, and NMR studies. The
present work is theoretically investigated using WB97XD/aug-cc-pVTZ basis set. The DFT …
present work is theoretically investigated using WB97XD/aug-cc-pVTZ basis set. The DFT …
Solvent role in molecular structure level, structural and topology investigations, molecular docking and antimicrobial activity studies on sulpha drug derivative
N Elangovan, N Arumugam - Journal of Molecular Structure, 2024 - Elsevier
The Schiff base (5FSATH) was synthesized and characterized by different experimental
techniques. In the context of local energy decomposition analysis (LED), the binding energy …
techniques. In the context of local energy decomposition analysis (LED), the binding energy …
Molecular design and experimental study on the alkylation of benzene with C6 olefin dimer with Lewis acidic monoamine ionic liquids and its sulfonate surfactant …
L Bao, Y Yang, X Li, J Dong - Journal of Molecular Liquids, 2024 - Elsevier
Long-chain alkyl benzene (LAB), conventionally manufactured by petrochemical routes, is
an important intermediate for the synthesis of high-value chemicals, especially detergents …
an important intermediate for the synthesis of high-value chemicals, especially detergents …
Influence of the solvents through molecular structure, wavefunction studies, biological activity prediction and molecular docking studies of 4, 4-((1, 2-phenylenebis …
N Elangovan, TS Ganesan, R Vignesh… - Journal of Molecular …, 2023 - Elsevier
The compound was synthesized via Schiff base method with o-phenylenediamine and
vanillin. IR, 1 H NMR, 13 C NMR, and UV–Visible spectroscopy were used to describe the …
vanillin. IR, 1 H NMR, 13 C NMR, and UV–Visible spectroscopy were used to describe the …
Experimental and theoretical exploration of the new stilbazolium-family single crystal grown by the integration of a novel anion for optical limiting and optoelectronic …
Recently, laser-oriented devices have emerged as an essential component of modern
technology. These high-intensity devices also adversely affect the human eyes and skin. To …
technology. These high-intensity devices also adversely affect the human eyes and skin. To …
A new fluorescence probe for simultaneous determination of Fe2+ and Fe3+ by orthogonal signal correction-principal component regression
A Parsaei-Khomami, A Badiei, ZS Ghavami… - Journal of Molecular …, 2022 - Elsevier
In this research, a newly reported fluorescence molecular probe [N, N'-bis (
methylsalicylaldehyde)-4, 4 bipyridinium] dichloride (DALD) was used for selective detection …
methylsalicylaldehyde)-4, 4 bipyridinium] dichloride (DALD) was used for selective detection …