Theoretical prediction of the structure, thermodynamic stability, electronic, and ...
Nanoalloys of Ag-Bi, Ag-In, and Bi-In and their photocatalytic properties
Parallel Tempering Monte Carlo implementation for the study of thermodynamic prope...
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...
A Density Functional Theory investigation of the Pt@WC core-shell nanoparticles