26 citations · 30 across the 13 of their papers we have counts for
6 papers · 2 filters
Ionic Clusters vs. Shear Viscosity in Aqueous Amino Acid Ionic Liquids
Vitaly V. Chaban, Eudes Eterno Fileti
Aqueous solutions of amino acid ionic liquids (AAILs) are of high importance for applications in protein synthesis and solubilization, enzymatic reactions, templates for synthetic…
The Band Gap of Graphene Is Efficiently Tuned by Monovalent Ions
Guilherme Colherinhas, Eudes Eterno Fileti, Vitaly V. Chaban
Following recently published study of Prezhdo and coworkers (JPC Letters, 2014, 5, 4129-4133), we report a systematic investigation of how monovalent and divalent ions influence va…
Aqueous Solutions of Amino Acid Based Ionic Liquids. Dispersion and Structure
Vitaly V. Chaban, Eudes Eterno Fileti
New ionic liquids (ILs) are continuously introduced involving an increasing number of organic and inorganic ions. Amino acid based ILs (AAILs) represent a specific interest due to…
Exploding Nitromethane in silico, in real time
Eudes Eterno Fileti, Vitaly V. Chaban, Oleg V. Prezhdo
Nitromethane (NM) is widely applied in chemical technology as a solvent for extraction, cleaning and chemical synthesis. NM was considered safe for a long time, until a railroad ta…
Reactive Molecular Dynamics Simulation of a Buckybomb
Vitaly V. Chaban, Eudes Eterno Fileti, Oleg V. Prezhdo
Abstract. Energetic materials, such as explosives, propellants and pyrotechnics, are widely used in civilian and military applications. Nanoscale explosives represent a special gro…
The Scaled-Charge Additive Force Field for Amino Acid Based Ionic Liquids
Eudes Eterno Fileti, Vitaly V. Chaban
Abstract. Ionic liquids (ILs) constitute an emerging field of research. New ILs are continuously introduced involving more and more organic and inorganic ions. Amino acid based ILs…