Density functionals with full nonlocal exchange, nonlocal rung-3.5 correlation, and D3 dispersion Combined accuracy for general main-group thermochemistry, kinetics, and noncovalen...

von Ramos, Chloe
Veröffentlicht in: Journal of computational chemistry (2021)

Mechanistic Insights into Iron-Catalyzed C-H Bond Activation and C-C Coupling

von Brewer, Samantha M
Veröffentlicht in: Organometallics (2021)

Tunable model promoters in DFT simulations of catalysts

von Mahler, Andrew
Veröffentlicht in: Journal of computational chemistry (2019)

Topological analysis of the electron delocalization range

von Janesko, Benjamin G
Veröffentlicht in: Journal of computational chemistry (2016)