Subject: Inquiry!

From: Arnold Alguno <[email-masked]>
Date: Wed, 23 Aug 2000 13:00:09 +0800 (PHT)

Dear netters

Greetings!

I am a researchers in one of the universities here in the Philippines
who is currently doing a study on the Molecular Dynamics of Organic
semi-conductor specifically thiopehe doped with LiBF4, Li,and Cl.

I have lots of questions also regarding my study and i know that the
netters are very expert in this field, ao i could really assure that the 
netters can give me the answers.These are my questions:

1. In the structure of thiophene, is the dopant (LiBF4, Li and Cl) will
attached to the beta site?

2. I am very intersted of the Band Gap of thiophene doped with these
dopant, is it possible to do these in DFT or ab-initio? How to go about
it?

3. What particular software should i used to perform the molecular
dynamics of polythiophene doped with these dopants?

Your answers to these questions will help a lot in my study.

Finally, I am respectfully requesting the netters to  please send me a
copy of your paper concerning Polythiophene. Thank you and more power to
you!

P.S. please send your response to the email address below.
______

Very truly yours,

ARNOLD C. ALGUNO
IITHEP, Department of Physics
MSU-IIT, Iligan City Philippines
[email-masked]