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mazeau
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Sep 14, 2021
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C3H6X2 and C3H5X2 are bidentate species and I don't think this should match this family
mazeau
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Sep 14, 2021
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C3H5X2-2 and C3H4X2 are bidentate species
mazeau
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C3H5X2-3 and C3H4X2-2 are bidentate species
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only with Eas, As are None
these are reactions which currently dont match any of our families
The duplicate cathub reactions were converted to MultiArrh. However, we do not want to add these rates together, so I converted them to SurfaceArrhenius and selected the more recent calculation (SchumannSelectivity2018)
Since we now consider metal attrs when descending the tree, these need to be removed from thermo group entries
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This is a WIP PR to add kinetic data from cat hub (https://www.catalysis-hub.org)