================= 98/10/12 =================== Sandra.Wauters@rug.ac.be (Sandra Wauters) Subject: CCL:Morate7.8.1 calculations val Subject: CCL:PCM for TM David Chalmers Subject: CCL:Utility to superimpose pdb files lin@chu.Chem.nthu.edu.tw (Chiu-Ling Lin) Subject: CCL:6-31G* basis set of I, Te and Sb? Wilfried Langenaeker Subject: CCL:delta E (singlet-triplet) Manu Subject: CCL:xafs / exafs Adel Abbas El-Azhary Subject: CCL:Gaussian problem "Ludmila Szterenberg" Subject: CCL:aromaticity Thomas Kraska Subject: CCL:Workshop on Global Phase Diagrams "Ya-Jun Zheng" Subject: CCL:Rotational barrier in C6H5-NH2 Molsoft Info Subject: CCL:A One Day Course on Computational Structural Biology Robert Gdanitz Subject: CCL:Atomic masses for He2! Howard Alper Subject: CCL:Parameterization - summary Yubo Fan Subject: CCL:Pyrolysis