共 50 条
- [33] ab initio QM/MM calculations on the citrate synthase reaction JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1998, 16 (4-6): : 271 - 272
- [34] Ab initio calculations of the Si(001) surface reconstructions using density functional theory EDM 2006: 7TH ANNUAL INTERNATIONAL WORKSHOP AND TUTORIALS ON ELECTRON DEVICES AND MATERIALS, PROCEEDINGS, 2006, : 55 - +
- [35] Dielectric and optical properties of pure liquids by means of ab initio reaction field theory PHYSICAL REVIEW E, 1998, 57 (04): : 4778 - 4785
- [36] Dielectric and optical properties of pure liquids by means of ab initio reaction field theory Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 1998, 57 (04): : 4778 - 4785