[QE-users] confusion regarding the reaction activation and adsorption in reaction surface

[naval singh]

hello all,i am trying to simulate a reaction in which reduction co2 occurs but when i try to adsorb the molecule on surface it doesnt gets adsorbed but when i checked its bond angle it was not linear but bent , in some of the papers i found that the images show was not adsorbed to surface but rather it was activated and the next step product was adsorbed on the surface so is it necessary for the molecule to be adsorbed or activation is alone the justification for the reaction  to proceed
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