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Sappidi, Praveenkumar, Singh, Jayant K. (2020) Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface. Journal of Chemical & Engineering Data, 65 (3) 1051-1059 doi:10.1021/acs.jced.9b00462

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface
JournalJournal of Chemical & Engineering Data
AuthorsSappidi, PraveenkumarAuthor
Singh, Jayant K.Author
Year2020 (March 12)Volume65
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jced.9b00462Search in ResearchGate
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Mindat Ref. ID14565524Long-form Identifiermindat:1:5:14565524:4
GUID0
Full ReferenceSappidi, Praveenkumar, Singh, Jayant K. (2020) Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface. Journal of Chemical & Engineering Data, 65 (3) 1051-1059 doi:10.1021/acs.jced.9b00462
Plain TextSappidi, Praveenkumar, Singh, Jayant K. (2020) Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface. Journal of Chemical & Engineering Data, 65 (3) 1051-1059 doi:10.1021/acs.jced.9b00462
In(2020, March) Journal of Chemical & Engineering Data Vol. 65 (3) American Chemical Society (ACS)

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Sappidi, Praveenkumar, Boda, Anil, Ali, Sk. Musharaf, Singh, Jayant K. (2019) Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface: Insights from All Atom Molecular Dynamics Simulations and Experiments. The Journal of Physical Chemistry C, 123 (19). 12276-12285 doi:10.1021/acs.jpcc.9b01722
Sappidi, Praveenkumar, Namsani, Sadanandam, Ali, Sk. Musharaf, Singh, Jayant Kumar (2018) Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study. The Journal of Physical Chemistry B, 122 (3). 1334-1344 doi:10.1021/acs.jpcb.7b11384
Grootenhuis, Peter D. J., Kollman, Peter A. (1989) Molecular mechanics and dynamics studies of crown ether - cation interactions: free energy calculations on the cation selectivity of dibenzo-18-crown-6 and dibenzo-30-crown-10. Journal Of The American Chemical Society, 111 (6) 2152-2158 doi:10.1021/ja00188a032
Kusaka, Ryoji, Inokuchi, Yoshiya, Ebata, Takayuki (2007) Laser spectroscopic study on the conformations and the hydrated structures of benzo-18-crown-6-ether and dibenzo-18-crown-6-ether in supersonic jets. Physical Chemistry Chemical Physics, 9 (32). 4452pp. doi:10.1039/b704750a
Gupta, Shrayansh, Sappidi, Praveenkumar (2023) Understanding the Molecular-Level Structure and Dynamics of Sodium Ions in Water in Ionic Liquid Electrolytes by Molecular Dynamics Simulations. Journal of Chemical & Engineering Data, 68 (1) 162-172 doi:10.1021/acs.jced.2c00521
Gupta, Shrayansh, Sappidi, Praveenkumar (2024) Molecular Dynamics Simulations for Understanding the Structure and Dynamics of Na+ Ions in Water-Mixed Ionic Liquid Electrolytes: The Role of Anions. Journal of Chemical & Engineering Data, 69 (5) 1928-1938 doi:10.1021/acs.jced.4c00080
Buchanan, G. W., Kirby, R. A., Charland, J. P. (1988) Stereochemistry of crown ethers and their complexes in the solid state. Carbon-13 CPMAS NMR and x-ray crystallographic studies of configurationally isomeric dicyclohexano-14-crown-4 ethers, dibenzo-14-crown-4 ether, and some lithium thiocyanate salts. Journal Of The American Chemical Society, 110 (8) 2477-2483 doi:10.1021/ja00216a022
Dang, Liem X. (1995) Mechanism and Thermodynamics of Ion Selectivity in Aqueous Solutions of 18-Crown-6 Ether: A Molecular Dynamics Study. Journal Of The American Chemical Society, 117 (26) 6954-6960 doi:10.1021/ja00131a018
Delville, Alfred, Stover, Harald D. H., Detellier, Christian (1987) Crown ether-cation decomplexation mechanics. Sodium-23 NMR studies of the sodium cation complexes with dibenzo-24-crown-8 and dibenzo-18-crown-6 in nitromethane and acetonitrile. Journal Of The American Chemical Society, 109 (24) 7293-7301 doi:10.1021/ja00258a008
Lu, Yang, Yu, Miao, Tan, Zhenjiang, Yan, Yongsheng (2016) Phase Equilibria and Salt Effect on the Aqueous Two-Phase System of Polyoxyethylene Cetyl Ether and Sulfate Salt at Three Temperatures. Journal of Chemical & Engineering Data, 61 (6) 2135-2143 doi:10.1021/acs.jced.6b00097
Velasco-Medina, Andrés Adolfo, Gracia-Fadrique, Jesús (2020) Surface Tension and Density of Ethylene Glycol Monobutyl Ether–Water Mixtures from 277.15 to 308.15 K. Journal of Chemical & Engineering Data, 65 (9) 4547-4555 doi:10.1021/acs.jced.0c00368
 
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