semiempirical calculations on a complex of Co and Sn.
- From: "YARD.DOC. TEREZA VARNALI" <varnali -8 at 8-
boun.edu.tr>
- Subject: semiempirical calculations on a complex of Co and Sn.
- Date: Mon, 6 Nov 1995 15:10:51 -0500 (EST)
Hi,
I am interested to run semiempirical calculations on a Cobalt complex
that undergoes a reaction with HSnPh3. The transition state and the
product therefore incorporates both Co and Sn atoms . The problem is that
I am unaware of a program that is parametrized for both Co and Sn.
PM3 is parametrized for Sn and ZINDO1 is parametrized for Co ...
My computational facilities are limited but if you can suggest basis set
that will not be costly I can try that too.
I wellcome all suggestions on the subject.
Thanks
Tereza Varnali
Varnali -8 at 8- ds5500.cc.boun.edu.tr