T41 file/molekel

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T41 file/molekel

From: Albert Poater <albertpo_at_email.domain.hidden>
Date: Mon, 11 Mar 2002 11:30:31 +0100

Dear Users and Developers:
Hello!
I apologize for having sent a email, with a part of text which belongs
to another mail which was sent some minutes ago. I am sorry
Bye,
My doubt is the following one:

I am trying to use Molekel program,which is a program for visualizing
molecules and it is prepared to draw orbitals. But it needs file .t41 of
each molecule that I am calculating. In the web of ADF there is an
example of calculating t41 of NO2, but I haven´t been able to have it
worked properly.

Albert Poater Teixidor
Institut Químic Computacional (IQC)
albertpo_at_iqc.udg.es
Received on 2002-03-11 11:41:32

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