Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks

von Vanduyfhuys, Louis
Veröffentlicht in: Journal of computational chemistry (2018)

Thermodynamic Insight in the High-Pressure Behavior of UiO-66 Effect of Linker Defects and Linker Expansion

von Rogge, Sven M J
Veröffentlicht in: Chemistry of materials : a publication of the American Chemical Society (2016)

QuickFF A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input

von Vanduyfhuys, Louis
Veröffentlicht in: Journal of computational chemistry (2015)