From owner-chemistry@ccl.net Thu Jan 28 20:04:00 2010 From: "Ghislain Deslongchamps ghislain+/-unb.ca" To: CCL Subject: CCL:G: localized MOs as tau bonds Message-Id: <-41134-100128143741-373-9gvB+HqdVaQcSl2ZX35r1Q^server.ccl.net> X-Original-From: Ghislain Deslongchamps Content-Type: multipart/alternative; boundary=Apple-Mail-9-780391778 Date: Thu, 28 Jan 2010 14:21:56 -0400 Mime-Version: 1.0 (Apple Message framework v1077) Sent to CCL by: Ghislain Deslongchamps [ghislain|,|unb.ca] --Apple-Mail-9-780391778 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=us-ascii Hi all, We are interested in studying some unsaturated organic structures from = the standpoint of 'bent bonds' (tau bonds) instead of the usual sigma/pi = bonds. Does anyone know if such MO localization can be modelled and = visualized in G03/G09? Can one, for instance, visualize the tau-star = MOs? Thank You, Ghislain Deslongchamps= --Apple-Mail-9-780391778 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=us-ascii Hi = all,

We are interested in studying some unsaturated = organic structures from the standpoint of 'bent bonds' (tau bonds) = instead of the usual sigma/pi bonds. Does anyone know if such MO = localization can be modelled and visualized in G03/G09? Can one, for = instance, visualize the tau-star MOs?

Thank = You,