Some of the referees were a little bit "not amused" because it almost seems like kind of an unfair trick to run dynamics using such a simple setup. But if it works and if it gives you relevant information about the real world, why should you not do it?
Computational screening of metalloporphyrin catalysts for the activation of
carbon dioxide
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Molecular Catalysis 2024, in press Electrocatalytic CO2 reduction (eCO2R)
to value-added chemicals offers a promising route for carbon capture and
utilizat...
1 day ago
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