235 citations · 280 across the 2 of their papers we have counts for
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physics.chem-ph2021★ 45 cited
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A. Grimmel, Miguel Steiner +4
Quantum mechanical methods have been devised for the elucidation and clarification of reaction paths of chemical processes over decades. While they are typically deployed in routin…
physics.chem-ph2014★ 235 cited
New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals
Thomas Weymuth, Erik P. A. Couzijn, Peter Chen +1
We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals.…