Roberto Dovesi
Roberto Dovesi
Full Professor Torino University
Verified email at unito.it
Title
Cited by
Cited by
Year
CRYSTAL09 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 6, 2009
20422009
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
11612014
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
1093*2005
Hartree-Fock ab initio treatment of crystalline systems
C Pisani, R Dovesi, C Roetti
Springer Science & Business Media, 2012
10792012
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code
F Pascale, CM Zicovich‐Wilson, F López Gejo, B Civalleri, R Orlando, ...
Journal of computational chemistry 25 (6), 888-897, 2004
7072004
CRYSTAL17
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Gruppo di Chimica Teorica, Dipartimento di Chimica, 2017
6682017
CRYSTAL98 user’s manual
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
University of Torino, Torino 230, 1998
5841998
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
4522003
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
3712004
Quantum‐mechanical condensed matter simulations with CRYSTAL
R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018
3242018
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
3081995
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
3002001
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
2931986
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
2711991
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
2411990
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
2391991
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
2341980
The performance of hybrid density functionals in solid state chemistry
F Corŕ, M Alfredsson, G Mallia, DS Middlemiss, WC Mackrodt, R Dovesi, ...
Principles and Applications of Density Functional Theory in Inorganic …, 2004
2322004
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
2322001
Ab initio quantum simulation in solid state chemistry
R Dovesi, B Civalleri, R Orlando, C Roetti, VR Saunders
Reviews in computational chemistry 21, 1, 2005
2302005
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