57 citations · 57 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2018
Reaction mechanism of hydrogen activation by frustrated Lewis pairs
Lei Liu, Binit Lukose, Pablo Jaque +1
Typically, a Lewis acid and a base react with each other and form classic acid base adducts. The neutralization reaction is however prevented by the introduction of bulky substitut…
physics.chem-ph2017
A free energy landscape of the capture of CO2 by frustrated Lewis pairs
Lei Liu, Binit Lukose, Bernd Ensing
Frustrated Lewis pairs (FLPs) are known for its ability to capture CO2. Although many FLPs have been reported experimentally and several theoretical studies have been carried out t…
cond-mat.mtrl-sci2011★ 57 cited
Structure and electronic structure of Metal-Organic Frameworks within the Density-Functional based Tight-Binding method
Binit Lukose, Barbara Supronowicz, Petko St. Petkov +5
Density-functional based tight-binding is a powerful method to describe large molecules and materials. Metal-Organic Frameworks (MOFs), materials with interesting catalytic propert…