검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
On the Models for the Investigation of Charged Defects in Solids: The Case of the VN- Defect in Diamond Dovesi R, Gentile FS, Ferrari AM, Pascale F, Salustro S, D'Arco P Journal of Physical Chemistry A, 123(22), 4806, 2019 |
| 2 |
The katoite hydrogarnet Si-free Ca3Al2([OH](4))(3): A periodic Hartree-Fock and B3-LYP study Pascale F, Ugliengo P, Civalleri B, Orlando R, D'Arco P, Dovesi R Journal of Chemical Physics, 121(2), 1005, 2004 |
| 3 |
Hydrogarnet defect in chabazite and sodalite zeolites: A periodic Hartree-Fock and B3-LYP study Pascale F, Ugliengo P, Civalleri B, Orlando R, D'Arco P, Dovesi R Journal of Chemical Physics, 117(11), 5337, 2002 |
| 4 |
Hartree-Fock geometry optimisation of periodic systems with the CRYSTAL code Civalleri B, D'Arco P, Orlando R, Saunders VR, Dovesi R Chemical Physics Letters, 348(1-2), 131, 2001 |