================= 97/10/10 =================== "Nathaniel (noj) Malcolm" Subject: CCL:G94 problem with CCSD(TQ,FULL) "Vadim Kantor" Subject: CCL:About MOPAC & AMPAC From: David Young Subject: CCL:Chem topic: Computational Drug Design From: "Stefan Fau" Subject: CCL: Re: G: reasonable geometry From: "Dr. Heinz Schiffer" Subject: CCL:[Fwd: Re: CCL:DFT and H2O Dimer] From: Subject: CCL:Summary2: Presentation Graphics From: Subject: CCL:Summary2: Presentation Graphics From: Gustavo de Miranda Seabra Subject: CCL:Sorry: Langmuir films From: tcundari@cc.memphis.edu (Tom Cundari) Subject: CCL:ECPs in DFT From: Peter Freunscht Subject: CCL:Re: CCL:G:frequency output of g94 From: John McKelvey Subject: CCL:Call for Posters and General Oral Papers for Dallas... Drawing Near... October 20, 1997 From: Charilaos Linaras Subject: CCL:CHEMKIN Code Help From: Christophe MAROT Subject: CCL:Re: CCL:logP program From: howardp@syrres.com (phil howard) Subject: CCL:Re: CCL:logP program Guillaume Campioni Subject: CCL:bilayer coordinate John McKelvey Subject: CCL:G94W Andrei Kutateladze Subject: CCL:G:G:frequency output of g94 schrecke@t12.lanl.gov (Georg Schreckenbach) Subject: CCL:DFT MO energies schrecke@t12.lanl.gov (Georg Schreckenbach) Subject: CCL:2nd summary: solid state/band structures Subject: CCL:logP program "E. Lewars" Subject: CCL:ANIMATING GAUSSIAN FREQS Bruno Bienfait Subject: CCL:Summary:Definition of molecular flexibility ramon kleber da rocha Subject: CCL:Binding energy by MM "Volkhard Helms" Subject: CCL:Binding energy by MM Subject: CCL:Binding energy by MM From: Willy Wriggers Subject: CCL:Re: CCL:isosurfaces in volumetric data From: Subject: CCL:Reminder: QSAR Symposium Abstracts Due Oct 20 for Dallas ACS Meeing! From: Deepak Singh Subject: CCL:Gaussian94 From: "David E. Bernholdt" Subject: CCL:Charmm-bbs has a new home! From: Willy Wriggers Subject: CCL:Summary: isosurfaces in volumetric data From: Stefan Unger Subject: CCL:Re: CCL:logP program From: Eugene Kolker Subject: CCL:Recomb98 deadline: Oct 20 From: Wang Arthur Subject: CCL:Re: CCL:logP program