Subject: PCM calculations.

From: "Sergio Emanuel Galembeck" <[email-masked]>
Date: Mon, 9 Aug 1999 14:52:26 -0300

Hello Netters,

    I am trying to make some calculations
of aromatic compounds in water and organic
solvents (benzene or cyclohexene) using PCM. 
I have noted that some groups or atoms 
present sp3 hybridization.
    Two questions:
- Are the incorrect hybridizations indicate error in
the calculations of delta(G)solv.
- How to correct these errors in hybridization?

            Best regards,

                        Sergio