From korkin@qtp.ufl.edu Mon Aug 11 10:16:56 1997 Received: from qtp.ufl.edu for korkin@qtp.ufl.edu by www.ccl.net (8.8.3/950822.1) id JAA26070; Mon, 11 Aug 1997 09:28:03 -0400 (EDT) Received: from white7 by qtp.ufl.edu (SMI-8.6/SMI-SVR4) id JAA03198; Mon, 11 Aug 1997 09:27:52 -0400 Message-Id: <199708111327.JAA03198@qtp.ufl.edu> Date: Mon, 11 Aug 1997 09:27:58 -0400 (EDT) From: Anatoli Korkin Reply-To: Anatoli Korkin Subject: B3LYP for H-bonded systems To: chemistry@www.ccl.net MIME-Version: 1.0 Content-Type: TEXT/plain; charset=us-ascii Content-MD5: 5EtcI/dg1pz1IpADGzdFtQ== X-Mailer: dtmail 1.2.0 CDE Version 1.2 SunOS 5.6 sun4c sparc Dear CCLers, Does any one know references on comparative ab initio and DFT (preferably B3LYP) studies of H-bonded systems and proton transfer? Any reviews on this topic? Thank you, Anatoli Korkin From nauss@beryllium.crs.uc.edu Mon Aug 11 16:17:00 1997 Received: from beryllium.crs.uc.edu for nauss@beryllium.crs.uc.edu by www.ccl.net (8.8.3/950822.1) id QAA27888; Mon, 11 Aug 1997 16:01:14 -0400 (EDT) Received: (from nauss@localhost) by beryllium.crs.uc.edu (8.8.6/8.8.6) id QAA17726; Mon, 11 Aug 1997 16:00:48 -0400 (EDT) From: nauss@beryllium.crs.uc.edu (Jeffrey L. Nauss) Message-Id: <9708111600.ZM17724@beryllium.crs.uc.edu> Date: Mon, 11 Aug 1997 16:00:48 -0400 Organization: Dept. Chemistry, University of Cincinnati Reply-to: Jeffrey.Nauss@UC.Edu X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: DIBUG@sunsite.icm.edu.pl, chemistry@www.ccl.net Subject: Gray shading in InsightII Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii I seem to recall seeing a table which related colors to grayshading in Postscript. Something to the effect that with white being 0%, black 100%, then red (?) was 50%. Does anyone recall where this table is located? I have looked on the MSI WW site and in my manuals, both 95.0 and 4.0. I would appreciate a direct reply via e-mail as soon as possible as I am preparing a figure for a manuscript. Thanks in advance... -- Jeffrey L. Nauss, PhD Telephone: 513-556-0148 Dir. Molec. Model. Serv. Fax: 513-556-9239 Department of Chemistry e-mail: Jeffrey.Nauss@UC.Edu University of Cincinnati URL http://www.che.uc.edu/~nauss