On the Accuracy of DFT Methods in Reproducing Ligand Substitution Energies for Transition Metal Complexes in Solution: The Role of Dispersive Interactions

A Failure of DFT Is Not Necessarily a DFT Failure–Performance Dependencies on Model System Choices

(2011) Heiko Jacobsen   Journal of Chemical Theory and Computation

Implementation and assessment of a simple nonlocal van der Waals density functional

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

Nonlocal van der Waals density functional: The simpler the better

(2010) Oleg A. Vydrov et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

(2009) Yan Zhao et al.   Journal of Chemical Theory and Computation

Fluorine substituent effects on dihydrogen bonding of transition metal hydrides

(2009) Heiko Jacobsen   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonlocal van der Waals Density Functional Made Simple

(2009) Oleg A. Vydrov et al.   PHYSICAL REVIEW LETTERS

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

(2008) Diego Benitez et al.   CHEMICAL COMMUNICATIONS

Gas-Phase Thermochemistry of Ruthenium Carbene Metathesis Catalysts

(2008) Sebastian Torker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY