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Pre-calculated Ea energies to use in LSRs #50

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rwest opened this issue Dec 4, 2018 · 1 comment
Open

Pre-calculated Ea energies to use in LSRs #50

rwest opened this issue Dec 4, 2018 · 1 comment

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@rwest
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rwest commented Dec 4, 2018

It'd be nice to say "Use Ruthinium(111)" and it'd pre-load the E_C, E_O, E_H, E_N values for that metal, for use in the LSRs.
This would mean pre-calculating those atoms on a bunch of different metals.
@cfgoldsmith
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We can probably get all this information from AJ Medford. I will email him and ask.

@rwest rwest mentioned this issue Dec 8, 2018
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@rwest @cfgoldsmith