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Modify how Linear Scaling Relations are implemented #40

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cfgoldsmith opened this issue Sep 26, 2018 · 1 comment
Open

Modify how Linear Scaling Relations are implemented #40

cfgoldsmith opened this issue Sep 26, 2018 · 1 comment

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@cfgoldsmith
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As part of the Pt(111) thermo project in collaboration with Karlsruhe, we have computed the intercept, \xi, for each adsorbate and for each adsorption correction. It would be good to modify how we do LSR to use these intercepts (this would be more consistent with how it is done in the literature).
@cfgoldsmith cfgoldsmith mentioned this issue Oct 9, 2018
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@rwest
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rwest commented Oct 29, 2018

I think the relevant parameters are in rwest/RMG-database#8, currently in the longDesc comments.

@cfgoldsmith cfgoldsmith mentioned this issue Dec 7, 2018
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@rwest @cfgoldsmith