From chemistry-request: at :ccl.net Tue Jun 21 07:46:13 2005 Received: from server.ccl.net (ccl [127.0.0.1]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5LBkBLH023859 for ; Tue, 21 Jun 2005 07:46:11 -0400 Received: (from apache:~at~:localhost) by server.ccl.net (8.13.1/8.13.1/Submit) id j5LBkBiF023858 for chemistry [] ccl.net; Tue, 21 Jun 2005 07:46:11 -0400 Date: Tue, 21 Jun 2005 07:46:11 -0400 Message-Id: <200506211146.j5LBkBiF023858 [] server.ccl.net> X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request [] ccl.net using -f From: "Walkimar, , Carneiro" To: chemistry [] ccl.net X-Web-Message-Number: 050621074457-23755 Subject: W:getting NLMO contributions to NMR tensor components from G03 X-Spam-Status: No, score=-2.8 required=5.0 tests=ALL_TRUSTED autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Hi friends, Does anybody know how to get the NLMO contributions (following a Natural Chemical Shielding Analysis) to each element of the NMR tensors for a given atom? I am using G03. Thank you for helping me. Walkimar Carneiro walk [] vm.uff.br