From linker@pi.net Sun Oct 13 12:14:33 1996 Received: from mailhost.pi.net for linker@pi.net by www.ccl.net (8.8.0/950822.1) id MAA15143; Sun, 13 Oct 1996 12:10:29 -0400 (EDT) Received: from gjlinker (asd72.pi.net [145.220.192.72]) by mailhost.pi.net (8.7.5/8.7.1) with SMTP id SAA06489 for ; Sun, 13 Oct 1996 18:09:54 +0200 (MET DST) Posted-Date: Sun, 13 Oct 1996 18:09:54 +0200 (MET DST) Message-Id: <2.2.32.19961013170817.00694f00@pop.pi.net> X-Sender: linker@pop.pi.net X-Mailer: Windows Eudora Pro Version 2.2 (32) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Sun, 13 Oct 1996 18:08:17 +0100 To: chemistry@www.ccl.net From: Gerrit-Jan Linker Subject: ANNOUNCEMENT: Huckel calculator for Windows. I would like to announce a nice, user friendly, FREE, Huckel calculator for Windows. Please refer to my Huckel project pages for general and download information at http://www.pi.net/~linker/project.htm Features of Huckel: -it runs under Windows 3 and 95 -Draw your structure formula as input -Receive results in graph and as text -Tutorial in help file -Huckel theory in help file I would like to receive any comments or remarks on linkr@pi.net. Kind regards, Gerrit-Jan Linker From czernek@bilbo.chemi.muni.cz Sun Oct 13 13:14:33 1996 Received: from elessar.ics.muni.cz for czernek@bilbo.chemi.muni.cz by www.ccl.net (8.8.0/950822.1) id MAA15172; Sun, 13 Oct 1996 12:30:35 -0400 (EDT) Received: from bilbo.chemi.muni.cz (czernek@bilbo.chemi.muni.cz [147.251.72.1]) by elessar.ics.muni.cz (8.7.6/8.7.1) with ESMTP id SAA20979 for ; Sun, 13 Oct 1996 18:30:19 +0200 (MET DST) Received: (from czernek@localhost) by bilbo.chemi.muni.cz (8.7.5/8.7.1) id SAA19888; Sun, 13 Oct 1996 18:30:44 +0200 (MET DST) From: Jiri Czernek Message-Id: <199610131630.SAA19888@bilbo.chemi.muni.cz> Subject: LOEWDIN population analysis To: CHEMISTRY@www.ccl.net Date: Sun, 13 Oct 1996 18:30:43 +0200 (MET DST) Cc: czernek@bilbo.chemi.muni.cz (Jiri Czernek) X-Mailer: ELM [version 2.4 PL24] Content-Type: text Dear CCL-ers , In Turbomole it's possible to "carry out a Loewdin population analysis of the SCF wavefunction". Unfortunatelly, the reference for this method is not given in the manual. I ask you to send me that reference and/or references/your opinions concerning applications of this procedure. Cordially , czernek@chemi.muni.cz