Stefan Grimme
0000-0002-5844-4371
49 papers found
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Full Selectivity Control in Cobalt(III)-Catalyzed C−H Alkylations by Switching of the C−H Activation Mechanism
Extension of the D3 dispersion coefficient model
London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
Towards full Quantum-Mechanics-based Protein-Ligand Binding Affinities
Comprehensive theoretical study of all 1812 C60 isomers
Quantum chemical calculation of electron ionization mass spectra for general organic and inorganic molecules
trans–cis C–Pd–C rearrangement in hemichelates
Why Does the Intramolecular Trimethylene-Bridged Frustrated Lewis Pair Mes2 PCH2 CH2 CH2 B(C6 F5 )2 Not Activate Dihydrogen?
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