================= 98/12/10 =================== Ning Xie Subject: CCL:benchmark O2/origin200 Didier MATHIEU Subject: CCL:DFT energies: advice needed "Jerry C.C. Chan" Subject: CCL:Summary: J-coupling tensor From: FRANCOIS.HUTSCHKA@total.com Subject: CCL:Hydrogenolysis of S-S bond From: David Young Subject: CCL:Chem Topic: QM/MM