ADF-LIST Archive: NBO analysis

From: Henry Chermette <chermet_at_email.domain.hidden>
Date: Fri, 19 Jan 2001 19:03:41 +0100
X-Mailer: Mozilla 4.75 [en] (X11; U; AIX 4.3)

Hello,

I would be interested in calculating NBO charges from ADF calculations.
I believe someone already programmed that, but I could not remember
more. Am I right?

-- 
Henry Chermette
Chimie Physique Theorique, bat 210,
UNIVERSITE CLAUDE BERNARD DE LYON
(et Inst. Recherches sur la Catalyse)
43 bd du 11 novembre 1918
F-69622 VILLEURBANNE Cedex
Tel [+33](0)4 72 44 84 27
Fax [+33](0)4 72 44 80 04
e-mail cherm_at_catalyse.univ-lyon1.fr
e-mail cherm_at_in2p3.fr

Received on 2001-01-19 19:08:23