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Singlet O=O vdW species in Surface_Adsorption_Abstraction_vdW #464
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Short termas discussed 2021-04-12 on Northeastern/Brown call
Medium term.Read papers like |
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As we discussed in #458, the gas phase O2 will be represented as
[O][O]
, which has the following adjaceny list notation:Since we don’t use the singlet O=O for the gas phase oxygen, do we want the vdW O2 to have this form in Surface_Adsorption_Abstraction_vdW family?
We didn’t add the forbidden entry O=O in Surface_Adsorption_Bidentate family as well, and the following reaction will be created:
For consistency, should we keep all of them or remove the O=O entry
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