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Cover Image, Volume 36, Issue 10
Publication year - 2015
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23900
Subject(s) - cover (algebra) , ionic liquid , ion , ionic bonding , lithium (medication) , chemistry , solvent , volume (thermodynamics) , computer science , computational chemistry , physics , thermodynamics , organic chemistry , psychology , mechanical engineering , engineering , catalysis , psychiatry
The cover shows ion aggregates being formed in solutions of lithium salts in ionic liquids. On page 751 (DOI: 10.1002/jcc.23853 ), Andrzej Eilmes and Piotr Kubisiak report a computational study on the stability of ion triplets composed of a metal cation and two counteranions in five ionic liquids. Relative binding energies obtained from implicit and explicit solvent models are in general agreement. Molecular dynamics simulations provide insights on the formation and decay of ion triplets depending on their composition and the anion of the ionic liquid used as a solvent.