From chemistry-request@ccl.net Fri Sep 26 19:40:16 2003 Received: from alchemy.chem.utoronto.ca (alchemy.chem.utoronto.ca [142.150.224.224]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h8QNdemK005738 for ; Fri, 26 Sep 2003 19:39:43 -0400 Received: (from www@localhost) by alchemy.chem.utoronto.ca (8.11.6/8.11.6) id h8QNdaN17811 for chemistry[at]ccl.net; Fri, 26 Sep 2003 19:39:36 -0400 From: Nam Anh Nguyen X-Authentication-Warning: alchemy.chem.utoronto.ca: www set sender to nnguyen[at]chem.utoronto.ca using -f Received: from 142.150.224.68 ( [142.150.224.68]) as user nnguyen[at]alchemy.chem.utoronto.ca by mail.chem.utoronto.ca with HTTP; Fri, 26 Sep 2003 19:39:36 -0400 Message-ID: <1064619576.3f74ce3873327[at]mail.chem.utoronto.ca> Date: Fri, 26 Sep 2003 19:39:36 -0400 To: chemistry[at]ccl.net Subject: Basis set for excited states of NA MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.1 X-Originating-IP: 142.150.224.68 X-Spam-Status: No, hits=-0.7 required=7.0 tests=USER_AGENT_IMP,X_AUTH_WARNING version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Dear users, I'm performing calculations of high-lying excited states of the Na atom. I'd like to know whether STO or GTO basis functions for excited states available in the literature I'll appreciate any help. Please email me directly as I'm not a subscriber. I'll summarize Regards Nam Nguyen ------------------------------------------------- This mail sent through IMP: http://horde.org/imp/ From chemistry-request@ccl.net Sat Sep 27 13:31:15 2003 Received: from prserv.net (asmtp1.prserv.net [32.97.166.51]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h8RHUimK027010 for ; Sat, 27 Sep 2003 13:30:44 -0400 Received: from attglobal.net (dhcp065-029-082-127.indy.rr.com[65.29.82.127]) by prserv.net (asmtp1) with SMTP id <2003092717304325101lu8s6e> (Authid: usinet.jmmckel); Sat, 27 Sep 2003 17:30:43 +0000 Message-ID: <3F75814C.5BD557B2-.at.-attglobal.net> Date: Sat, 27 Sep 2003 12:23:40 +0000 From: John McKelvey Reply-To: jmmckel-.at.-attglobal.net Organization: McKelvey Computational Chemistry X-Mailer: Mozilla 4.75 [en]C-CCK-MCD (WinNT; U) X-Accept-Language: en MIME-Version: 1.0 To: chemistry-.at.-ccl.net Subject: Ring detection Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.2 required=7.0 tests=DATE_IN_PAST_03_06,USER_AGENT_MOZILLA_XM,X_ACCEPT_LANG version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) CCLers, Can anyone point me to a code [preferably fortran ,{I know}] for determining rings and size for atoms, given a connectivity list? Thanks! John McKelvey