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Fixed thermo entries for two adsorbates on Pt - #12

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Fixed thermo entries for two adsorbates on Pt#12
kblondal wants to merge 1 commit into
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Added 2D gas comment to entry for *(CH2O).
Switched from using 2D gas model for *(HNO) to using the harmonic oscillator model due to its strong binding energy and fixed entry accordingly.

Added 2D gas comment to entry for *(CH2O).
Switched from using 2D gas model for *(HNO) to using the harmonic oscillator model due to its strong binding energy and fixed entry accordingly.
rwest pushed a commit that referenced this pull request Jul 9, 2019
 However, it crashes, due to a units problem for SurfaceArrhenius. See issue #12: cfgoldsmith/RMG-Py#12
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