Table 7.

Prodan ground state induced electric dipole moment (D) in several solvents^a

Prodan ground state-induced electric dipole moment	Cyclohexane	Dichloromethane	Acetonitrile	Water
This work
μ QM/MM	6.1	7.7	8.0	10.2
μ PCM	6.2	7.6	7.9	8.2
Mennucci et al. (2008)
μ PCM	7.7	-	9.3	9.4
μ vacuum b	-	-	-	9.8
μ PCM c	-	-	-	13.2

For comparison, results from Mennucci et al. (2008) are included (see text)

^aCalculated using the sequential quantum mechanics (QM) and molecular mechanics (MM) methodology (S-QM/MM; μ _QM/MM) procedure and the polarizable continuum model (μ _PCM), both with MP2/aug-ccpVDZ/CHELPG (see Fig. 6 and text)

^bIn this calculation, the water environment was modeled as two hydrogen-bonded water molecules only.

^cIn this calculation, the water environment was modeled as two hydrogen-bonded water molecules plus PCM model