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polyoxometalates

Here are 2 public repositories matching this topic...

pomsimulator

petrusen / pomsimulator

Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters

chemistry computational-chemistry speciation aqueous inorganic-chemistry polyoxometalates

Updated Feb 3, 2025
Python

qcgurv / topoMOx

TopoMOx, topologies for metal oxides

molecular-dynamics gromacs classical-simulation metal-oxides polyoxometalates

Updated Dec 20, 2024
Python

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