Selectivity of 18-crown-6 ether to alkali ions by density functional theory and molecular dynamics simulation

Published 2020 View Full Article

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Title
Selectivity of 18-crown-6 ether to alkali ions by density functional theory and molecular dynamics simulation
Authors
Keywords
Molecular dynamics, 18-Crown-6, Alkali ions, Selectivity, Solvation effect
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 311, Issue -, Pages 113305
Publisher
Elsevier BV
Online
2020-05-08
DOI
10.1016/j.molliq.2020.113305

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