Subject: MNDO/d softwares and sparkles

From: [email-masked] (Frederic BOUYER)
Date: Fri, 30 Jun 1995 08:58:01 +0100

Hello everybody,

1 - Is there MNDO/d softwares in the public domain
(possibly commercial programs) ?

2 - My  problem is that counter-cations, like Na, ..., are taken into
account like sparkles; their charge is +1, ... . Is there a semi-empirical
program, or new parameters of Mopac, or new hamiltonians, that treat
correctly counter-cations? (except Hartree-Fock or DFT programs)

Thank you in advance for responding.

Frederic Bouyer
Lab. Electrochimie et Chimie Analytique
ENSCP-CNRS, Paris, France
[email-masked]
http://alcyone.enscp.jussieu.fr/Pages/LECA/GP/FB/