From chemistry-request@ccl.net Wed Jun 26 14:11:33 1991 Date: Wed, 26 Jun 1991 10:38 MST From: PLEE%CGF@Arizona.EDU Subject: sybyl parameters for tin disulfide To: chemistry@ccl.net Status: R Would be grateful for suggestions on how to set the sybyl atom parameters for tin disulfide. We have created the single crystal surface but we want to make sure the atomic radii, charge, electronegativity, etc. are correct to do energy minimizations of molecules on the surface. I would appreciate any advice. thanks Paul Lee Dept of Chemistry Univ. of Arizona