Quantification of Reaction Barriers under Diffusion Controlled Conditions

water_dimer_scangeom.xyz: Contains all coordinates for the dissociation scan of the water dimer, obtained using B3LYP/def2-TZVP/D3. Cl_Ch3Cl_scangeom.xyz: Contains all coordinates for the dissociation scan of Cl-CH3Cl, obtained using B3LYP/def2-TZVP/D4. Cl_Ch3Br_scangeom.xyz: Contains all coordinates for the dissociation scan of Cl-CH3Br, obtained using B3LYP/def2-TZVP/D4. ethylamine_scangeom.xyz: Contains all coordinates for the dissociation scan of ethylamine, obtained using B3LYP/def2-TZVP/D4. C2F4_scangeom.xyz: Contains all coordinates for the dissociation scan of the difluorocarbene dimer, obtained using B3LYP/def2-TZVP/D4. PDL2_scangeom.xyz: Contains all coordinates for the dissociation scan of the palladium complex, obtained using B3LYP/def2-TZVP/D4 and CPCM(toluene). AuNHC2BrAuBr_scangeom.xyz: Contains all coordinates for the dissociation scan of the N-heterocyclic gold complex, obtained using B3LYP/def2-TZVP/D4 and CPCM(water).