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Structure and nanostructure in ionic liquids
Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
Protic ionic liquids: evolving structure–property relationships and expanding applications
The field of ionic liquds is growing significantly, with an increased focus on develo** ionic
liquds for specific applications, along with fundamental research. By definition, ionic liquids …
liquds for specific applications, along with fundamental research. By definition, ionic liquids …
Modern room temperature ionic liquids, a simple guide to understanding their structure and how it may relate to dynamics
Modern room temperature ionic liquids are structurally defined by symmetries on different
length scales. Polar–apolar alternation defines their nanoscale structural heterogeneity …
length scales. Polar–apolar alternation defines their nanoscale structural heterogeneity …
The CL &Pol polarizable force field for the simulation of ionic liquids and eutectic solvents
Molecular dynamics (MD) simulation, and theoretical chemistry in general, have been
central tools in the study of ionic liquids (ILs) and eutectic solvents, both of which are fluid …
central tools in the study of ionic liquids (ILs) and eutectic solvents, both of which are fluid …
Extension of the CL&Pol polarizable force field to electrolytes, protic ionic liquids, and deep eutectic solvents
The polarizable CL&Pol force field presented in our previous study, Transferable,
Polarizable Force Field for Ionic Liquids (J. Chem. Theory Comput. 2019, 15, 5858, DOI …
Polarizable Force Field for Ionic Liquids (J. Chem. Theory Comput. 2019, 15, 5858, DOI …
Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields
M Salanne - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are
difficult to characterize experimentally because of their intrinsic complexity (large number of …
difficult to characterize experimentally because of their intrinsic complexity (large number of …
Binary mixtures of choline acetate and tetrabutylammonium acetate with natural organic acids by vibrational spectroscopy and molecular dynamics simulations
We present a study of several mixtures obtained by the mixing of two organic acetate-based
salts (choline acetate, ChAc, or tetrabutylammonium acetate, TBAAc) with three different …
salts (choline acetate, ChAc, or tetrabutylammonium acetate, TBAAc) with three different …
Amphiphile meets amphiphile: Beyond the polar–apolar dualism in ionic liquid/alcohol mixtures
O Russina, A Sferrazza, R Caminiti… - The Journal of Physical …, 2014 - ACS Publications
The mesoscopic morphology of binary mixtures of ethylammonium nitrate (EAN), the protic
ionic liquid par excellence, and methanol is explored using neutron/X-ray diffraction and …
ionic liquid par excellence, and methanol is explored using neutron/X-ray diffraction and …
Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies
Ionic liquids raise interesting but complicated questions for theoretical investigations due to
the fact that a number of different inter-molecular interactions, eg, hydrogen bonding, long …
the fact that a number of different inter-molecular interactions, eg, hydrogen bonding, long …
Mixtures of choline chloride and tetrabutylammonium bromide with imidazole as examples of deep eutectic solvents: their structure by theoretical and experimental …
Imidazole based eutectic solvents have been recently proposed as novel solvents and have
been synthetized and characterized by different experimental techniques. We studied the …
been synthetized and characterized by different experimental techniques. We studied the …