Subject: VALRAY program. Info requested.

From: [email-masked] (Pablo Vitoria)
Date: Wed, 3 Jul 1996 08:51:02 +0000

Hi everybody,

When I was searching the literature, looking for applications to crystal
charge densities of Bader's 'atoms in molecule' theory and topological
description of bonding and structure, I came across the following
reference: Destro, R., Bianchi, R., Gatti, C. and Merati, F., Chem. Phys.
Lett., 1991, 186(1), 47 -52. In this study the experimental (as determined
by X-ray diffraction) charge density and its Laplacian are evaluated for
alanine, and their critical points located. The authors say that the
calculations have been performed with a version of the VALRAy set of
programs by R. F. Stewart and M. A. Spackman (at the Carnegie-Mellon
University, Pittsburgh).

Does anybody have some more information about this program? I'd like to
know if it's available, and in that case, for which computers. And also if
it calculates the critical points by itself. I'd like to get in touch with
Prof. Stewart, but I don't have his address.

Thank you very much for your information
Best regards

Pablo

--------------------------------------------------------------------------------
Pablo Vitoria Garcia
Departamento de Quimica Inorganica, Facultad de Ciencias
Universidad del Pais Vasco (UPV/EHU)
Apartado 644, E-48080 Bilbao
SPAIN
e-mail: [email-masked]
Phone: +34 4 4647700 Ext. 2450
----------------------------------------------------------------------------
----