From chemistry-request.,at,.ccl.net Wed Dec 8 10:47:08 2004 Received: from mserv.itpa.lt (mserv.itpa.lt [193.219.53.20]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iB8Fl7dA021807 for ; Wed, 8 Dec 2004 10:47:07 -0500 Received: from mserv.itpa.lt (localhost [127.0.0.1]) by mserv.itpa.lt (8.12.11/8.12.11) with ESMTP id iB8G2Lco062610 for ; Wed, 8 Dec 2004 18:02:21 +0200 (EET) (envelope-from tamulis:at:mserv.itpa.lt) Received: from localhost (tamulis- at -localhost) by mserv.itpa.lt (8.12.11/8.12.11/Submit) with ESMTP id iB8G2L07062607 for ; Wed, 8 Dec 2004 18:02:21 +0200 (EET) (envelope-from tamulis:at:mserv.itpa.lt) Date: Wed, 8 Dec 2004 18:02:21 +0200 (EET) From: Arvydas Tamulis To: chemistry:at:ccl.net Subject: Quantum yield of photochemical reactions In-Reply-To: <9DD56492790889439F731F5BD6DACA0007D78A14:at:srvkyem1.americas.sc-world.com> Message-ID: <20041208174725.J57829:at:mserv.itpa.lt> References: <9DD56492790889439F731F5BD6DACA0007D78A14:at:srvkyem1.americas.sc-world.com> MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear Colleagues, Would you please to say how to calculate quantum yield of photochemical reactions using resulting files of Gaussian03 or GAMESS-US calculations. Or maybe you can offer other possible evaluations of quantum yield of photochemical reactions. Best regards, Arvydas Tamulis www.itpa.lt/~tamulis/