================= 97/01/30 =================== From: Jan Reimers Subject: CCL:Mulliken population analysis From: "James J. P. Stewart" Subject: CCL:Putting New Parameters into MOPAC From: "M. Nicklaus" Subject: CCL:G94: Problem with PES Scan in DFT From: Novak Igor "Dr. Heinz Schiffer" Subject: CCL:dispersion interactions V Sundararajan Subject: CCL:Summary on Car-Parrinello codes A J Turner Subject: CCL:Mulliken population analysis Slawomir Janicki Subject: CCL:A (silly) problem with G94 peon@medchem.dfh.dk (Per-Ola Norrby) Subject: CCL:A (silly) problem with G94 "Stefan Fau" Subject: CCL:Mulliken population analysis harry@rsc.anu.edu.au (Dr. Harold W. Schranz) Subject: CCL:ScatterPlot3D in Mathematica "Dr. Heinz Schiffer" Subject: CCL:Mulliken Population Analysis Marcus G Martin Subject: CCL:Modeling Electrostatics Slawomir Janicki Subject: CCL:Re :FW: G:A (silly) problem with G94 Pablo Vitoria Garcia Subject: CCL:Fulfillment of virial theorem with pseudopotentials Subject: CCL:Fulfillment of virial theorem with pseudopotentials Jie Yuan Subject: CCL:DIBUG - inactive? "FANG L." Subject: CCL:ccl: electronic structure of glass