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Kinetics search for surface reactions #216
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I think we should have a check box of whether to consider surface reactions if only gas phase species were given as reactants (doesn't address all of the issues above, though) |
Thank everyone for the input. @jonwzheng, can we find a time in mid-Apr to discuss and try to solve those issues related to surface reactions. |
Adding this here, another problem with surface kinetics search... the second result of this search leads to |
The same |
There are a couple things that I noted when @Tingchenlee and I trying to find the following reaction (it is in the Deutschmann_Ni library):
first, if you put in CO2 as the only reactant, you only get gas phase reactions:
if you put in CO2 and [*] as the reactants, you still do not get the reaction I specified:
it is only when you specify O=C=[*] and O=[*] as REACTANTS that it gives you the right reaction:
there are 2 problems, I think, if it is not user error:
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