From owner-chemistry@ccl.net Tue Jul 1 20:16:01 2008 From: "gnli gnli:-:dicp.ac.cn" To: CCL Subject: CCL:G: how to define a radical molecule in G03? Message-Id: <-37282-080701054152-8406-peO8DNXTfkuKFE3gubr40g]~[server.ccl.net> X-Original-From: "gnli" Content-Type: multipart/alternative; boundary="----=_NextPart_000_0000_01C8DB9F.B4E504D0" Date: Tue, 1 Jul 2008 17:27:08 +0800 MIME-Version: 1.0 Sent to CCL by: "gnli" [gnli(_)dicp.ac.cn] This is a multi-part message in MIME format. ------=_NextPart_000_0000_01C8DB9F.B4E504D0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Dear CCLer, Now I need to calculate a radical reaction, but I don't know how to define the radical molecule in G03 input file, could you please give me some advice? A example of simple input file about radical molecule is very appreciated! best wishes Guanna Li gnli%x%dicp.ac.cn ------=_NextPart_000_0000_01C8DB9F.B4E504D0 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Dear = CCLer,

Now I need = to calculate a radical reaction, but I don’t know how to define the = radical molecule in G03 input file, could you please give me some advice? =

A example = of simple input file about radical molecule is very appreciated! =

best wishes
Guanna Li
gnli%x%dicp.ac.cn



 

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