검색결과 : 10건
| 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 |
Influence of lipid composition on the thermotropic behavior and size distribution of mixed cationic liposomes Barenholz Y, Bombelli C, Bonicelli MG, di Profio P, Giansanti L, Mancini G, Pascale F Journal of Colloid and Interface Science, 356(1), 46, 2011 |
| 3 |
Structure, vibrational analysis, and insights into host-guest interactions in As-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations Zicovich-Wilson CM, San-Roman ML, Camblor MA, Pascale F, Durand-Niconoff JS Journal of the American Chemical Society, 129(37), 11512, 2007 |
| 4 |
Vibrational spectrum of katoite Ca3Al2[(OH)(4)](3): A periodic ab initio study Orlando R, Torres FJ, Pascale F, Ugliengo P, Zicovich-Wilson C, Dovesi R Journal of Physical Chemistry B, 110(2), 692, 2006 |
| 5 |
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 |
| 6 |
Vibration frequencies of Ca3Fe2Si3O12 andradite: An ab initio study with the CRYSTAL code Pascale F, Catti M, Damin A, Orlando R, Saunders VR, Dovesi R Journal of Physical Chemistry B, 109(39), 18522, 2005 |
| 7 |
Vibrational spectrum of brucite, Mg(OH)(2): a periodic ab initio quantum mechanical calculation including OH anharmonicity Pascale F, Tosoni S, Zicovich-Wilson C, Ugliengo P, Orlando R, Dovesi R Chemical Physics Letters, 396(4-6), 308, 2004 |
| 8 |
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 |
| 9 |
Infrared spectra of hydrogen-bonded ionic crystals: Ab initio study of Mg(OH)(2) and beta-Be(OH)(2) Ugliengo P, Pascale F, Merawa M, Labeguerie P, Tosoni S, Dovesi R Journal of Physical Chemistry B, 108(36), 13632, 2004 |
| 10 |
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 |