Supramolecular binding thermodynamics by dispersion-corrected density functional theory.

By Stefan Grimme. Chemistry, 2012

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Modeling the formation and growth of atmospheric molecular clusters: A review (2020, background): “Kruse and Grimme (2012) further developed this concept into a geometric counterpoise correction (gCP) that only depends on the input geometry of the molecule/cluster.”
Materials perspective on Casimir and van der Waals interactions (2015, methodology): “In particular, Grimme (Grimme, 2006) published a set of empirical parameters for a range of elements and demonstrated that the addition of dispersion energy to a wide range of functionals yields remarkably accurate results for intermolecular interactions.”
Recent developments in symmetry‐adapted perturbation theory (2020, background): “An important example of such a benchmark SAPT(DFT) study is the calculation(156) of interaction energies for the S12L database of large complexes.(157) For systems of this size, a computation of unambiguous benchmark values exceeds our current algorithmic and computational capabilities, and the orig”
Toward transferable interatomic van der Waals interactions without electrons: the role of multipole electrostatics and many-body dispersion. (2014, neutral): “[66] Stefan Grimme.”