Theoretical Investigation of the Cooperativity in CH₃CHO·2H₂O, CH₂FCHO·2H₂O, and CH₃CFO·2H₂O Systems

Figure 1

A and B structures of CH₃CHO, CH₂FCHO, and CH₃CFO complexed with one and two water molecules calculated at B3LYP/6-311++G(d,p) level. The distances calculated with the MP2/aug-cc-PVTZ method are indicated in parentheses.

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