From chemistry-request@ccl.net Fri Feb 8 12:53:08 1991 Date: Fri, 08 Feb 91 09:30:51 LCL From: DAVID McCLURE Subject: REPLYS TO MY INQUERY RE. COMPUTATIONAL METHODS IN THE CLASSROOM To: JAN LABANOWSKI Status: RO Thanks to all of you who have responded. I'm slighly overwhelmed. I'll try to get my bitnet name file put together in the next day or so and will then forward the comments that I have so far received. Regards, David. --- From chemistry-request@ccl.net Fri Feb 8 15:21:22 1991 Date: Fri, 8 Feb 91 15:05:40 EST From: shenkin@avogadro.barnard.columbia.EDU Subject: Re: REPLYS TO MY INQUERY RE. COMPUTATIONAL METHODS IN THE CLASSROOM To: CHEMISTRY@ccl.net Status: RO Thanks, Dave, for your suggestion that a forum be set up for this discussion. Is there anyone out there who would be interested in an electronic discussion group on the broader subject of the teaching of physical chemistry -- which includes choice of texts and coverage, lecture-demos, how much computational proficiency if any we want to require of our students, how much we should teach about modern computational methods (eg, Monte Carlo and molecular dynamics, or quantum chemistry calculations). I mentioned to Dave that he might want to enlarge his scope beyond the instructional aspects of computational chemistry, but apparently his response was overwhelmingly positive toward his proposal as originally made. So now I am asking, separately, if there is any interest in this broader subject, or in this broader subject minus its intersection with Dave's proposal. -P. -- ************************f*u*cn*rd*ths*u*cn*gt*a*gd*jb************************** Peter S. Shenkin, Department of Chemistry, Barnard College, New York, NY 10027 (212)854-1418 shenkin@avogadro.barnard.columbia.edu shenkin@cunixf.BITNET ***"In scenic New York... where the third world is only a subway ride away."*** --- From chemistry-request@ccl.net Fri Feb 8 15:35:37 1991 Date: Fri, 8 Feb 91 12:25:16 PST From: titus@Csa1.LBL.GOV To: chemistry@ccl.net Status: RO I am looking for some code to run 3-D classical trajectories on a 3 atom system given a point-wise potential surface. Can anyone help? I'm in the Y.T. Lee group E-mail TITUS@LBL.Bitnet. Thanks. Arthur Suits ---