================= 98/10/13 =================== From: Jan Labanowski Subject: CCL:John Pople -- Nobel Prize in Chemistry for 1998 From: Andrew Rohl Subject: CCL:population of conformers From: "G. Rechtsteiner" Subject: CCL:mass spec simulation From: Sandra.Wauters@rug.ac.be (Sandra Wauters) Subject: CCL:Morate7.8.1 calculations From: val Subject: CCL:PCM for TM From: David Chalmers Subject: CCL:Utility to superimpose pdb files From: lin@chu.Chem.nthu.edu.tw (Chiu-Ling Lin) Subject: CCL:6-31G* basis set of I, Te and Sb? From: Wilfried Langenaeker Subject: CCL:delta E (singlet-triplet) From: Manu Subject: CCL:Re: CCL:Re: CCL:xafs / exafs From: Adel Abbas El-Azhary Subject: CCL:Gaussian problem From: Thomas Kraska Subject: CCL:Workshop on Global Phase Diagrams From: "Ya-Jun Zheng" Subject: CCL:Rotational barrier in C6H5-NH2 From: Molsoft Info Subject: CCL:A One Day Course on Computational Structural Biology From: Robert Gdanitz Subject: CCL:Atomic masses for He2! From: Howard Alper Subject: CCL:Parameterization - summary From: Yubo Fan Subject: CCL:Pyrolysis