Roberto Dovesi
Roberto Dovesi
Full Professor Torino University
Email verificata su unito.it
TitoloCitata daAnno
CRYSTAL09 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 220 (2005), 571, 2009
19862009
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
R Dovesi, R Orlando, B Civalleri, C Roetti, VR Saunders, ...
Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 571-573, 2005
1022*2005
Hartree-Fock ab initio treatment of crystalline systems
C Pisani, R Dovesi, C Roetti
Springer Science & Business Media, 2012
10192012
CRYSTAL14: A program for the ab initio investigation of crystalline solids
R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ...
International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014
9272014
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code
F Pascale, CM Zicovich‐Wilson, F Lopez Gejo, B Civalleri, R Orlando, ...
Journal of computational chemistry 25 (6), 888-897, 2004
5992004
CRYSTAL98 user’s manual
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
University of Torino, Torino 230, 1998
5801998
Crystal14
R Dovesi, VR Saunders, C Roetti, R Orlando, Z Wilson, F Pascale, ...
Dipartimento di Chimica, 2014
4872014
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 2003
4602003
Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set
CM Zicovich‐Wilson, F Pascale, C Roetti, VR Saunders, R Orlando, ...
Journal of computational chemistry 25 (15), 1873-1881, 2004
3122004
Hartree–Fock geometry optimisation of periodic systems with the CRYSTAL code
B Civalleri, P D'Arco, R Orlando, VR Saunders, R Dovesi
Chemical Physics Letters 348 (1-2), 131-138, 2001
2902001
Theoretical study of electronic, magnetic, and structural properties of α-Fe 2 O 3 (hematite)
M Catti, G Valerio, R Dovesi
Physical Review B 51 (12), 7441, 1995
2851995
Electronic structure and stability of different crystal phases of magnesium oxide
M Causa, R Dovesi, C Pisani, C Roetti
Physical Review B 33 (2), 1308, 1986
2821986
On the elastic properties of lithium, sodium and potassium oxide. An ab initio study
R Dovesi, C Roetti, C Freyria-Fava, M Prencipe, VR Saunders
Chemical Physics 156 (1), 11-19, 1991
2561991
Exact‐exchange Hartree–Fock calculations for periodic systems. I. Illustration of the method
C Pisani, R Dovesi
International Journal of Quantum Chemistry 17 (3), 501-516, 1980
2281980
Pseudopotential Hartree-Fock study of seventeen III-V and IV-IV semiconductors
M Causa, R Dovesi, C Roetti
Physical Review B 43 (14), 11937, 1991
2201991
Ab initio approach to molecular crystals: A periodic Hartree–Fock study of crystalline urea
R Dovesi, M Causa’, R Orlando, C Roetti, VR Saunders
The Journal of Chemical Physics 92 (12), 7402-7411, 1990
2191990
The performance of hybrid density functionals in solid state chemistry
F Corà, M Alfredsson, G Mallia, DS Middlemiss, WC Mackrodt, R Dovesi, ...
Principles and Applications of Density Functional Theory in Inorganic …, 2004
2162004
Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches
Y Noel, CM Zicovich-Wilson, B Civalleri, P D’arco, R Dovesi
Physical Review B 65 (1), 014111, 2001
2102001
Ab initio quantum simulation in solid state chemistry
R Dovesi, B Civalleri, C Roetti, VR Saunders, R Orlando
Reviews in computational chemistry 21, 1-125, 2005
2072005
A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
CM Zicovich-Wilson, R Dovesi, VR Saunders
The Journal of Chemical Physics 115 (21), 9708-9719, 2001
2072001
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20