A DENSITY FUNCTIONAL THEORY INVESTIGATION OF THE INTERACTION OF WATER AND ETHANOL ...
A Multiscale Framework Applied to the Investigation of CO2 Reduction on Metallic N...
Minimum model of metallic nanoparticle surface and cluster for DNA nanosensors opt...
Catalyst design for direct conversion of methane to methanol: an ab initio Density...
Active learning for the development of new metallic nanoparticles: applications in...
Ab initio investigation of physicochemical properties of nanoflakes of PtS2 due to...