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23 research outputs found
Calculation of the vibration frequencies of alpha-quartz: The effect of Hamiltonian and basis set
Author
Dovesi Roberto
Orlando Roberto
+4Â more
Pascale F.
Roetti Carla
Saunders V. R.
Zicovich Wilson C. M.
Publication venue
Publication date
01/01/2004
Field of study
Get PDF
Institutional Research Information System University of Turin
Comment on "Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets"
Author
Civalleri Bartolomeo
Dovesi Roberto
+5Â more
Orlando Roberto
Pisani Cesare
Roetti Carla
Saunders V. R.
Zicovich Wilson C. M.
Publication venue
'American Physical Society (APS)'
Publication date
01/01/2010
Field of study
Get PDF
Institutional Research Information System University of Turin
Vitamin C at 120 K: experimental and theoretical study of the charge density
Author
Roetti Carla
Ugliengo Piero
Publication venue
Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL:
[email protected]
, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598
Publication date
01/01/1997
Field of study
No full text
Institutional Research Information System University of Turin
Well localized Crystalline Orbitals as obtained from Bloch functions. The case of KNbO3.
Author
Dovesi Roberto
Orlando Roberto
Roetti Carla
Publication venue
Publication date
01/01/2001
Field of study
No full text
Institutional Research Information System University of Turin
Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic UHF approach
Author
Dovesi Roberto
Orlando Roberto
Roetti Carla
Publication venue
American Institute of Physics:2 Huntington Quadrangle, Suite 1NO1:Melville, NY 11747:(800)344-6902, (631)576-2287, EMAIL:
[email protected]
, INTERNET: http://www.aip.org, Fax: (516)349-9704
Publication date
01/01/2000
Field of study
No full text
Institutional Research Information System University of Turin
ON THE ELASTIC PROPERTIES OF LITHIUM, SODIUM AND POTASSIUM OXIDE - AN AB INITIO STUDY
Author
Dovesi Roberto
Prencipe Mauro
Roetti Carla
Publication venue
Elsevier BV:PO Box 211, 1000 AE Amsterdam Netherlands:011 31 20 4853757, 011 31 20 4853642, 011 31 20 4853641, EMAIL:
[email protected]
, INTERNET: http://www.elsevier.nl, Fax: 011 31 20 4853598
Publication date
01/01/1991
Field of study
No full text
Institutional Research Information System University of Turin
Electronic structure of NiO/Ag(100) thin films from DFT+U and hybrid functional DFT approaches
Author
Ferrari Anna Maria
Pisani Cesare
Roetti Carla
Publication venue
Publication date
01/01/2006
Field of study
No full text
Institutional Research Information System University of Turin
Water dissociation at MgO sub-monolayers on silver: a periodic model study
Author
Ferrari Anna Maria
Pisani Cesare
Roetti Carla
Publication venue
Publication date
01/01/2007
Field of study
No full text
Institutional Research Information System University of Turin
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code
Author
Dovesi Roberto
Orlando Roberto
Roetti Carla
Ugliengo Piero
Publication venue
Publication date
01/01/2005
Field of study
No full text
Institutional Research Information System University of Turin
CRYSTAL09
Author
Civalleri Bartolomeo
Dovesi Roberto
Orlando Roberto
Roetti Carla
Publication venue
Dipartimento di Chimica
Publication date
01/01/2009
Field of study
No full text
Institutional Research Information System University of Turin
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