From chemistry-request@ccl.net Thu Oct 24 14:03:25 1991 Date: Thu, 24 Oct 91 10:34:26 PDT From: d3e057@bogart.pnl.gov To: chemistry@ccl.net Status: R POSTDOCTORAL POSITION Molecular Science Research Center, Battelle, Pacific Northwest Laboratory has an opening post-doctoral position in molecular dynamics simulations of clusters and aqueous solutions starting in early 1992. The research position will involve: development of nonadditive intermolecular potentials for water-water and ion-water interactions using molecular dynamics methods. development and/or implementation of methodology to study solvation of ions at liquid water-vapor interfaces, and to calculate the interionic potentials of mean force and related dynamical and thermodynamic properties of ionic solutions. Interested applicants should send resume and brief description of research interests, and have three letters of reference forwarded to Dr. Liem X. Dang or Dr. Bruce Garrett, Molecular Science Research Center, Battelle, Pacific Northwest Laboratory, P.O. Box 999, MS-K2-18, Richland, WA 99352. Postdoctoral appointments are made through the Northwest College and University Association for Science (NORCUS) for one year and are renewable for up to two additional years. Internet addresses: bc_garrett@pnl.gov lx_dang@pnl.gov From chemistry-request@ccl.net Thu Oct 24 14:07:34 1991 Date: Wed, 23 Oct 1991 16:46 EDT From: BERGMARK%ITHACA.bitnet@CORNELLF.tc.cornell.edu Subject: molecular mechanics To: bply@CORNELLF.bitnet Status: R Folks, I have received the following request for information regarding molecular modeling software for a Sun 160 workstation. Please send responses directly to bergmark@ithaca.bitnet. I would also appreciate it if you would copy your response to me at bply@cornellf.tc.cornell.edu. I will summarize for the list. Thanks, Evi Goldfield, CNSF ----------------------------Original message---------------------------- Evi: Donna suggested that I contact you with my question. We have in the department a Sun 160 workstation that we would like to use for simple molecular mechanics. What I'm thinking about is something undergraduates could use without great difficulty. I have used some Macintosh software- PCModel and Chem3D Plus which seem appropriate. We'd like something useful for undergraduate instruction, not too expensive, etc. Any suggestions? Where to but? Thanks a lot. Bill Bergmark - Bergmark@Ithaca From chemistry-request@ccl.net Thu Oct 24 19:21:55 1991 Date: Thu, 24 Oct 91 18:53:38 EDT From: Network Mailer Subject: Undelivered mail To: Status: R I have a question about an old fashioned subject. As an undergraduate in pharmacy, I recall using a "gravimetric factor" in a formula which included the barometric pressure and temperature to compensate for the buoyancy of air upon a sample being weighed for quantitative analysis. As part of some other work, I wish to review this subject and I have not readily found a recent reference; although I have seen some tables. I wonder whether this correction is still done and where it is described in "prose." Thanks.