Sizing the role of London dispersion in the dissociation of all-meta tert-butyl hexaphenylethane

Dispersion-Corrected Mean-Field Electronic Structure Methods

(2016) Stefan Grimme et al.   CHEMICAL REVIEWS

Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding

(2015) Robert M. Parrish et al.   JOURNAL OF CHEMICAL PHYSICS

A C–C Bonded Phenoxyl Radical Dimer with a Zero Bond Dissociation Free Energy

(2013) Jessica M. Wittman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How much do van der Waals dispersion forces contribute to molecular recognition in solution?

(2013) Lixu Yang et al.   Nature Chemistry

Steric Crowding Can Stabilize a Labile Molecule: Solving the Hexaphenylethane Riddle

(2011) Stefan Grimme et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the Importance of the Dispersion Energy for the Thermodynamic Stability of Molecules

(2011) Stefan Grimme et al.   CHEMPHYSCHEM

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Synthesis, Structures, and Ethylene Polymerization Behavior of Bis(pyrazolyl)borate Zirconium and Hafnium Benzyl Complexes†

(2010) Changle Chen et al.   ORGANOMETALLICS

Predicting the NMR Spectra of Paramagnetic Molecules by DFT: Application to Organic Free Radicals and Transition-Metal Complexes

(2009) Federico Rastrelli et al.   CHEMISTRY-A EUROPEAN JOURNAL

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH