38 citations
2 papers
cond-mat.mtrl-sci2014★ 24 cited
Computationally Efficient Prediction of Area per Lipid
Vitaly Chaban
Area per lipid (APL) is an important property of biological and artificial membranes. Newly constructed bilayers are characterized by their APL and newly elaborated force fields mu…
cond-mat.mtrl-sci2014★ 38 cited
The Thiocyanate Anion is a Primary Driver of Carbon Dioxide Capture by Ionic Liquids
Vitaly Chaban
Carbon dioxide, CO2, capture by room-temperature ionic liquids (RTILs) is a vivid research area featuring both accomplishments and frustrations. This work employs the PM7-MD method…