From theochem@ctc.com Wed Dec 27 11:51:56 1995 Received: from server1.ctc.com for theochem@ctc.com by www.ccl.net (8.6.10/950822.1) id LAA07231; Wed, 27 Dec 1995 11:45:21 -0500 Received: by server1.ctc.com (5.65/DEC-Ultrix/4.3) id AA10467; Wed, 27 Dec 1995 11:46:05 -0500 Received: by sgi144.ctc.com (940816.SGI.8.6.9/921111.SGI.AUTO) for chemistry@www.ccl.net id LAA00470; Wed, 27 Dec 1995 11:37:38 -0500 From: theochem@ctc.com (Douglas Smith) Message-Id: <199512271637.LAA00470@sgi144.ctc.com> Subject: structure needed To: chemistry@www.ccl.net (Computational Chemistry List) Date: Wed, 27 Dec 1995 11:37:36 -0500 (EST) X-Mailer: ELM [version 2.4 PL22] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 398 Can anyone tell me the structure of picramide, and point me to any quantum calculations of this compound? Thanks in advance and happy holidays! Doug -- Douglas A. Smith, Ph.D. Principal Technical Staff Concurrent Technologies Corporation 1450 Scalp Avenue Johnstown, PA 15904 voice: (814) 269-2545 fax: (814) 269-2798 email: theochem@ctc.com Disclaimer: Whatever I say is my own fault. From NMILLS@Trinity.Edu Wed Dec 27 14:51:58 1995 Received: from tucc7.tucc.trinity.edu for NMILLS@Trinity.Edu by www.ccl.net (8.6.10/950822.1) id OAA09346; Wed, 27 Dec 1995 14:38:42 -0500 Received: from tucc2.tucc.trinity.edu by tucc7.tucc.trinity.edu with ESMTP (1.38.110.45/16.2) id AA220493101; Wed, 27 Dec 1995 13:38:21 -0600 Received: from TUCC2/MAILQUEUE by tucc2.tucc.trinity.edu (Mercury 1.20); 27 Dec 95 13:35:42 -0600 Received: from MAILQUEUE by TUCC2 (Mercury 1.20); 27 Dec 95 13:35:18 -0600 From: "Nancy Mills" Organization: Trinity University To: chemistry@www.ccl.net Date: Wed, 27 Dec 1995 13:39:47 CST Subject: antimony parameters Reply-To: nmills@Trinity.Edu X-Confirm-Reading-To: nmills@trinity.edu X-Pmrqc: 1 Priority: normal X-Mailer: Pegasus Mail/Mac (v2.1 pre-release) Message-Id: Has AM1 been parameterized for antimony? Please reply to me and I will summarize for the net. Thanks much and happy holidays. Nancy Nancy Mills Department of Chemistry Trinity University San Antonio, TX 78212-7200 210-736-7317 phone 210-736-7569 fax nmills@trinity.edu From jsb2@camsci.com Wed Dec 27 18:37:00 1995 Received: from camsci.com for jsb2@camsci.com by www.ccl.net (8.6.10/950822.1) id SAA12263; Wed, 27 Dec 1995 18:36:44 -0500 From: Date: Wed, 27 Dec 95 18:36:43 EST Received: by camsci.com (4.1/3.1.090690-Cambridge Scientific Computing) id AA10373; Wed, 27 Dec 95 18:36:43 EST Message-Id: <9512272336.AA10373@camsci.com> To: chemistry@www.ccl.net, theochem@ctc.com Subject: Re: CCL:structure needed >Can anyone tell me the structure of picramide The structure of picramide is now available at http://chemfinder.camsoft.com It's sort of like picric acid but with an -NH2 instead of an -OH Jonathan Brecher CambridgeSoft Corporation jsb@camsoft.com