Kinetics search for surface reactions

[ChrisBNEU]

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:

1. There is no third reactant or product entry field so maybe we cannot specify the reactants for this reaction at all with the current layout. if there is a work around where we can include 3-reactant surface reactions that would be great.
2. we are not seeing surface reactions when we search the gas phase species. maybe this is expected behavior as well, but I would think if my search is less specific I would see all reactions with CO2?

[Tingchenlee]

similar problems: If we search the reactions with charged N2O show when you click the 4th reaction the charged N2O shows

[alongd]

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)

[xiaoruiDong]

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.

[rwest]

Adding this here, another problem with surface kinetics search...

the second result of this search

leads to UnboundLocalError: local variable 'reverse_kinetics' referenced before assignment

[Tingchenlee]

The same UnboundLocalError: local variable 'reverse_kinetics' referenced before assignment error in this reaction The reverse reaction search was ok (It belongs to Surface_Adsorption_Single family)