Double bond-pheyl group bonding parameters

From: Kevser Göçmen Topal (kevser_at_boun.edu.tr)
Date: Wed Apr 18 2007 - 01:19:03 CDT

        Hello,

        I need an atom type and therefore parameters describing a bond
between phenyl group and a double bond. I have defined double bond atom as
CE1 ad phenyl atom as CA. Any help will be appreciated.

System is:
                                             \ /
CE1===
                                  */
                                       Ph(CA)

Related bond is marked with an asteriks.

Thanks in advance.

Kevser Göçmen Topal
Researcher
TUBİTAK UME
Chemistry Group Laboratories
PK 54 Gebze Kocaeli
Tel : + 90 262 679 50 00 ## 6500
Fax: + 90 262 679 50 01

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