검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
The vibrational spectrum of alpha-AlOOH diaspore: An ab initio study with the CRYSTAL code Demichelis R, Noel Y, Civalleri B, Roetti C, Ferrero M, Dovesi R Journal of Physical Chemistry B, 111(31), 9337, 2007 |
| 2 |
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code Pascale F, Zicovich-Wilson CM, Orlando R, Roetti C, Ugliengo P, Dovesi R Journal of Physical Chemistry B, 109(13), 6146, 2005 |
| 3 |
Characterization of the electronic structure of crystalline compounds through their localized Wannier functions Zicovich-Wilson CM, Bert A, Roetti C, Dovesi R, Saunders VR Journal of Chemical Physics, 116(3), 1120, 2002 |
| 4 |
Mechanical and Molecular-Properties of Ice-VIII from Crystal-Orbital Ab-Initio Calculations Ojamae L, Hermansson K, Dovesi R, Roetti C, Saunders VR Journal of Chemical Physics, 100(3), 2128, 1994 |
| 5 |
Crystal-Field Effects on the Topological Properties of the Electron-Density in Molecular-Crystals - The Case of Urea Gatti C, Saunders VR, Roetti C Journal of Chemical Physics, 101(12), 10686, 1994 |