From chemistry-request@www.ccl.net Tue Aug 11 21:45:46 1998 Received: from sable.nus.edu.sg (sable.nus.edu.sg [137.132.1.21]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id VAA27205 Tue, 11 Aug 1998 21:45:45 -0400 (EDT) Received: from leonis.nus.edu.sg (chmcws@leonis.nus.edu.sg [137.132.1.18]) by sable.nus.edu.sg (8.8.8/8.6.9) with ESMTP id JAA25175 for ; Wed, 12 Aug 1998 09:45:45 +0800 (SST) Received: (from chmcws@localhost) by leonis.nus.edu.sg (8.8.8/8.6.9/CNS-3.5) id JAA05786; Wed, 12 Aug 1998 09:45:43 +0800 (SST) Message-Id: <199808120145.JAA05786@leonis.nus.edu.sg> Subject: CCL:Valence DOS calculations To: chemistry@www.ccl.net Date: Wed, 12 Aug 1998 09:45:43 +0800 (SST) From: "Chin Wee Shong" Cc: chmcws@leonis.nus.edu.sg (W S Chin) Dear CCLers, I am looking at ways/programmes to calculate the density of states for some simple organic molecules in order to correlate that to their valence electronic structures. Can someone please give your kind advice or pointers ? Regards, Lim S L e-mail:scip4160 @ leonis.nus.edu.sg