96 citations · 186 across the 4 of their papers we have counts for
Showing 2021 · physics.chem-phShow all
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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-ph2021★ 25 cited
On the Predictive Power of Chemical Concepts
Stephanie A. Grimmel, Markus Reiher
Many chemical concepts can be well defined in the context of quantum chemical theories. Examples are the electronegativity scale of Mulliken and Jaffe and the hard and soft acids a…