From chemistry-request@server.ccl.net Sat Jan 15 06:04:29 2000 Received: from abramotelmail.abramo.it (dns.abramo.it [151.99.144.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA16741 for ; Sat, 15 Jan 2000 06:04:27 -0500 Received: from [151.99.144.52] by abramotelmail.abramo.it (NTMail 4.30.0012/NT0951.00.b518cffd) with ESMTP id faqgaaaa for ; Sat, 15 Jan 2000 10:58:18 +0000 Message-ID: <388044A9.C1F5475B@cs.cnr.it> Date: Sat, 15 Jan 2000 10:58:01 +0100 From: Stefano Alcaro X-Mailer: Mozilla 4.03 [it] (WinNT; I) MIME-Version: 1.0 To: chemistry@ccl.net Subject: Selenium MM parameters Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Hi CCLers, I am going to model some Se-methyl Methanephosphonoselenoate derivatives and I am looking specifically for the following Molecular Mechanics parameters: Stretching : Se – C Se – P Bending: C – Se – P Se – P = O Se – P – O Se – P – C Torsional: C – Se – P = O C – Se – P – C C – Se – P – O Se – P – O – C Any experimental or theoretical reference is appreciated. I will summarize the replies for the list. Thanks very much in advance. Stefano Alcaro ========================================================= Universitΰ di Catanzaro "Magna Graecia" Dipartimento di Scienze Farmaco-Biologiche "Complesso Ninμ Barbieri" - 88021 Roccelletta di Borgia Catanzaro (Italy) tel +39,0961,391131 fax +39,0961,391490 ========================================================= From chemistry-request@server.ccl.net Sat Jan 15 16:15:26 2000 Received: from canter-n-siegel.schrodinger.com (canter-n-siegel.schrodinger.com [192.156.98.248]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id QAA20111 for ; Sat, 15 Jan 2000 16:15:25 -0500 Received: (from info@localhost) by canter-n-siegel.schrodinger.com (8.8.5/8.8.5) id MAA29562 for chemistry@ccl.net; Sat, 15 Jan 2000 12:16:57 -0800 From: Schrodinger Info account Message-Id: <200001152016.MAA29562@canter-n-siegel.schrodinger.com> Subject: ANNC: Titan Workshop by Schrodinger and Wavefunction To: chemistry@ccl.net Date: Sat, 15 Jan 100 12:16:56 -0800 (PST) X-Mailer: ELM [version 2.5 PL0b2] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Wavefunction and Schrodinger formally invite you to a free, one-day molecular modeling seminar and hands-on workshop using Titan software. This workshop attempts to bring experimental scientists to the computational frontier in order to introduce the application of molecular modeling into daily research. The workshop will run from 10:00 AM until 3:00 PM and will include morning lectures by W.J. Hehre, lunch, and an afternoon "hands-on" tour of Titan including use of the Cambridge Structural Database. DATES and LOCATIONS: Wednesday, February 23 Wilmington, DE Thursday, February 24 New Brunswick, NJ For more information, or to register, please visit http://www.schrodinger.com/ If you have any questions or comments, please contact either Jim Parisi at Wavefunction [email: jim@wavefun.com, phone: +1 949 955-2120], or Dr. Shi-Yi Liu at Schrodinger [email: syl@schrodinger.com, phone: +1 503 299-1150].