================= 96/08/0 =================== From: Armel Le Bail Subject: CCL:Re: CCL:Crystallographic Software From: ipcakc@Postoffice (Dr.A.K.Chandra) Subject: CCL:G94: G94/DFT/Tr.State Problem From: Van Keer Annik Subject: CCL:transition state From: christin@irene (Christine Byrd) Subject: CCL:MOPAC output files From: Computational Chemistry Subject: CCL:UFF From: Christopher J Cramer Subject: CCL:Re: CCL:M:Searching transition state with MOPAC; part2 From: Steve Doughty Subject: CCL:MGMS EC-1 Announcement From: Ernest Chamot Subject: CCL:Re: CCL:M:HELP!(urgent):theoretical discrimication & software From: Ernest Chamot Subject: CCL:Re: CCL:M:Heat of formation calculation using MOPAC. From: Emadeddin Tajkhorshid From: Ernst Wallenborn Subject: CCL:Re: Transition state search using MOPAC. From: "George P. Ford" Subject: CCL:Re: CCL:M:Searching transition state with MOPAC; part2 From: "lldmpc::mrgate::a1::moralega"@lldmpc.dnet.dupont.com Subject: CCL:RE: CCL:M:Transition state search using MOPAC. From: "Steve Gwaltney" Subject: CCL:Re: CCL:MCSCF freq. + scaling factors From: Alan Shusterman Subject: CCL:Re: CCL:M:Help!: IRC by mopac From: Dongchul Lim Subject: CCL:Re: CCL:M:Help!: IRC by mopac From: Computational Chemistry Subject: CCL:Conference From: Gijs Schaftenaar Subject: CCL:Re: IRC & Molden From: Hens Borkent Subject: CCL:mopac ts calc. From: Han Zuilhof Subject: CCL:carbenium ions From: Hens Borkent Subject: CCL:M:Searching transition state From: jeanne@TC.Cornell.EDU (Jeanne C. Butler) Subject: CCL:Experiences in System Administration of the IBM RS/6000 SP From: Irene Newhouse Subject: CCL:Re: CCL:M:Searching transition state with MOPAC; part2 From: Jose Ignacio Garcia Subject: CCL:SADDLE calculation From: Jose Ignacio Garcia Subject: CCL:SADDLE calculation From: Alexander J Ropelewski Subject: CCL:CCL:biomedical workshop announcement From: Juvencio Robles Subject: CCL:final program for CANCUN 97 symposium on Comp chem --> education From: "Leif P. Olson" Subject: CCL:mopac ts From: Kimberley Cousins Subject: CCL:TS location From: Subject: CCL:CCL: random stops in G94 From: YONG HUANG Subject: CCL:From CCL archive ---------Yong (Texas A&M) From: luo96@cyberramp.net (Yu-Ran Luo) Subject: CCL:Which Company Would Consider A Novel Proposal? From: Massimo Trotta Subject: CCL:basic fluorescence information From: Rino Ragno Subject: CCL:Conf. space & RBs From: ipcakc@Postoffice.ncst.ernet.in (Dr.A.K.Chandra) Subject: CCL:Norrish From: Rino Ragno Subject: CCL:Re: CCL:Conf. space & RBs From: "Kirby, Robert" Subject: CCL:Free Energy Pert Scripts in CHARMM From: Steve.Bowlus@sandoz.com Subject: CCL:M: SADDLE From: Rino Ragno Subject: CCL:Zn MM parameters From: Steve.Bowlus@sandoz.com Subject: CCL:Mopac ts From: Stanislaw Oldziej Subject: CCL:Transition state: From: "Stephen R. Heller" Subject: CCL:Software for Review From: "JDA03546@niftyse" Subject: CCL:RE:CCL:M:HELP!(urgent):theoretical discr From: Stanislaw Oldziej Subject: CCL:Transition state From: "Park, Tae-Yun" Subject: CCL:Summary of my earlier questions & Thanks From: "B. Kallies" Subject: CCL:CCL:autoprotolysis constant of alcohols From: "Wolf-Dietrich Ihlenfeldt" Subject: CCL:ANNOUNCE: WWW chemical structures database From: Massimo Trotta Subject: CCL:dipolar mements From: Mail Delivery Subsystem for chemistry Subject: CCL:EQS4WIN