119 citations · 146 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2016★ 27 cited
Site-specific reactivity of ethylene at distorted dangling bond configurations on Si(001)
Josua Pecher, Gerson Mette, Michael Dürr +1
We report differences in adsorption and reaction energetics for ethylene on Si(001) with respect to different dangling bond configurations induced by hydrogen precoverage as obtain…
physics.chem-ph2015★ 119 cited
A periodic Energy Decomposition Analysis (pEDA) method for the Investigation of Chemical Bonding in Extended Systems
Marc Raupach, Ralf Tonner
The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theo…