================= 96/07/04 =================== mw@crystal.uwa.edu.au (Magda Wajrak) Subject: CCL:Van der Waals radii! Subject: CCL:Topology and Parameter file for X-Plor "pankratov" Subject: CCL:Elimination of negative force constant Dietmar Kaiser Subject: CCL:Summary: DFT Introductory literature "Ratty" Subject: CCL:computer modelling of vibrational (Raman & IR) and Electronic absorption spectra Raja Amruthavalli Subject: CCL:Software to view the orbitals from G94 Suleyman Bahceci Subject: CCL:Matrix Extraction from Spartan Output fil "E. Lewars" Subject: CCL:MORE DFT REFS Sergio Emanuel Galembeck Subject: CCL:Summary: ESP and reactivity Sergio Emanuel Galembeck Subject: CCL:Q: MOPAC, ENPART.