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

par Wu, Yanze
Publié dans: Journal of computational chemistry (2019)

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

par Deetz, Joshua D
Publié dans: Langmuir : the ACS journal of surfaces and colloids (2016)