754879.fig.001a
(a)
754879.fig.001b
(b)
754879.fig.001c
(c)
754879.fig.001d
(d)
754879.fig.001e
(e)
754879.fig.001f
(f)
754879.fig.001g
(g)
754879.fig.001h
(h)
754879.fig.001i
(i)
754879.fig.001j
(j)
754879.fig.001k
(k)
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.