Matt Addicoat (@maddicoat.bsky.social)

Here's a cool thing that needs a human to do: These two papers doi.org/10.1039/D5CP... and doi.org/10.1039/D5CP... were published at the end of last year in @pccp.rsc.org. They are the result of the assessment of my masters Comp Chem class.

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Associative vs. dissociative binding of CO2 on M4 transition metal clusters Density functional theory calculations were performed to determine reaction paths for the reaction of CO2 with M4 transition metal clusters (M = Nb, Mo, Ru, Rh, Pd, Ag, Pt). Geometries incorporating a... https://doi.org/10.1039/D5CP03419A