Extracting the mechanisms and kinetic models of complex reactions from atomistic simulation data

von Wu, Yanze
Veröffentlicht in: Journal of computational chemistry (2019)

Reactive Molecular Dynamics Simulations of the Silanization of Silica Substrates by Methoxysilanes and Hydroxysilanes

von Deetz, Joshua D
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2016)