183 citations · 557 across the 61 of their papers we have counts for
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Acetone as a Polar Cosolvent for Pyridinium-Based Ionic Liquids
Vitaly V. Chaban
The work reports transport and structure properties of the three pyridinium-based ionic liquids (RTILs) - N-butylpyridinium hexafluorophosphate [BPY][PF6], N-butylpyridinium triflu…
Solvation of the Morpholinium Cation in Acetonitrile. Effect of an Anion
Vitaly V. Chaban, Nadezhda A. Andreeva
Ionic liquids constitute a fast growing class of compounds finding multiple applications in science and technology. Morpholinium-based ionic liquids (MBILs) and their mixtures with…
Polypeptide A9K at Nanoscale Carbon: Simulation Study
Vitaly V. Chaban, Andre Arruda, Eudes Eterno Fileti
An amphiphilic nature of the surfactant-like peptides is responsible for their propensity to aggregate at the nanoscale. These peptides can be readily used for a non-covalent funct…
Structure and Energetics of Graphene Oxide Isomers: Ab Initio Thermodynamic Analysis
Vitaly V. Chaban, Oleg V. Prezhdo
Graphene oxide (GO) holds significant promise for electronic devices and nanocomposite materials. A number of models were proposed for GO structure, combining carboxyl, hydroxyl, c…
Halogenation Thermodynamics of Pyrrolidinium-Based Ionic Liquids
Vitaly Chaban
Room-temperature ionic liquids (RTILs) exhibit large difference between melting and boiling points. They are highly tunable thanks to numerous accessible combinations of the cation…
Are Fluorination and Chlorination of the Morpholinium-Based Ionic Liquids Favorable?
Vitaly V. Chaban, Oleg V. Prezhdo
Room-temperature ionic liquids (RTILs) constitute a fine-tunable class of compounds. Morpholinium-based cations are new to the field. They are promising candidates for electrochemi…