Fig. 4
BHLYP/6-311++G(d,p)-energy profiles (in kJ mol-1) for the H addition to CO for a 32-water ice cluster (W32). Formation of HCO a) and CH3O b) species. Bare values are relative potential energy values; values in brackets with the zero-point energy corrections. The zero-energy references are a) CO···W32 + H and b) H2CO···W32 + H. Bond lengths in Å.
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