From val@acdlabs.com Fri Dec 27 10:12:20 1996 Received: from toronto.acdlabs.com for val@acdlabs.com by www.ccl.net (8.8.3/950822.1) id KAA15841; Fri, 27 Dec 1996 10:03:39 -0500 (EST) Received: from ip203-195.cc.interlog.com (ip203-195.cc.interlog.com [207.34.203.195]) by toronto.acdlabs.com (8.8.4/8.7.3) with SMTP id KAA02266; Fri, 27 Dec 1996 10:03:29 -0500 (EST) Received: by ip203-195.cc.interlog.com with Microsoft Mail id <01BBF3DC.83DA5820@ip203-195.cc.interlog.com>; Fri, 27 Dec 1996 09:58:31 -0500 Message-ID: <01BBF3DC.83DA5820@ip203-195.cc.interlog.com> From: Val Kulkov To: "chemistry@www.ccl.net" , "'Gianluca Sbardella'" Subject: RE: NMR prediction Date: Fri, 27 Dec 1996 09:57:34 -0500 MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable > Dear colleagues, > I'm looking for a good program (freeware) for the prediction of NMR > spectra of given structures.Can anybody help me? > Any reference (ftp sites or eveything else..) would be appreciated. > Thank you a lot in advance, > Gianluca Sbardella ACD, Inc. is offering free HNMR predictions at their Web site - = http://www.acdlabs.com. To view predicted spectra, you must download and = install the Spectrum Viewing Program (also free at the Web site). That = program is for PC/Windows. If you are on Mac or UNIX, just wait a couple = of weeks - there will be Java applets for viewing HNMR and CNMR spectra. Val Kulkov val@acdlabs.com From adler@pulsar.cs.wku.edu Fri Dec 27 12:12:22 1996 Received: from axp1.wku.edu for adler@pulsar.cs.wku.edu by www.ccl.net (8.8.3/950822.1) id LAA16087; Fri, 27 Dec 1996 11:17:33 -0500 (EST) Received: from pulsar.cs.wku.edu by axp1.wku.edu (MX V4.3 Alpha) with SMTP; Fri, 27 Dec 1996 10:17:41 EST Received: by pulsar.cs.wku.edu (SMI-8.6/SMI-SVR4) id KAA01697; Fri, 27 Dec 1996 10:16:53 -0600 From: adler@pulsar.cs.wku.edu (Allen Adler) Message-ID: <199612271616.KAA01697@pulsar.cs.wku.edu> Subject: dye colors To: chemistry@www.ccl.net Date: Fri, 27 Dec 1996 10:16:53 -0600 (CST) X-Mailer: ELM [version 2.4 PL25] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Can one make good ab initio predictions of the colors of dyes? Allan Adler adler@pulsar.cs.wku.edu