Computational Study of Acidic and Basic Functionalized Crystalline Silica Surfaces as a Model for Biomaterial Interfaces

von Corno, Marta
Veröffentlicht in: Langmuir : the ACS journal of surfaces and colloids (2015)

A new massively parallel version of CRYSTAL for large systems on high performance computing architectures

von Orlando, Roberto
Veröffentlicht in: Journal of computational chemistry (2012)