304 citations · 572 across the 6 of their papers we have counts for
Showing 2017 · physics.chem-phShow all
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physics.chem-ph2017★ 151 cited
Context-Driven Exploration of Complex Chemical Reaction Networks
Gregor N. Simm, Markus Reiher
The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes. In the case o…
physics.chem-ph2017
Error Assessment of Computational Models in Chemistry
Gregor N. Simm, Jonny Proppe, Markus Reiher
Computational models in chemistry rely on a number of approximations. The effect of such approximations on observables derived from them is often unpredictable. Therefore, it is ch…