Simone Salustro
Simone Salustro
Verified email at unito.it
Title
Cited by
Cited by
Year
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
3552018
Raman spectrum of NaAlSi2O6 jadeite. A quantum mechanical simulation
M Prencipe, L Maschio, B Kirtman, S Salustro, A Erba, R Dovesi
Journal of Raman Spectroscopy 45 (8), 703-709, 2014
342014
Infrared and Raman spectroscopic features of the self-interstitial defect in diamond from exact-exchange hybrid DFT calculations
S Salustro, A Erba, CM Zicovich-Wilson, Y N÷el, L Maschio, R Dovesi
Physical Chemistry Chemical Physics 18 (31), 21288-21295, 2016
272016
A post-Hartree–Fock study of pressure-induced phase transitions in solid nitrogen: The case of the α, γ, and ε low-pressure phases
A Erba, L Maschio, S Salustro, S Casassa
The Journal of chemical physics 134 (7), 074502, 2011
272011
The VN 3 H defect in diamond: a quantum-mechanical characterization
FS Gentile, S Salustro, M CausÓ, A Erba, P CarbonniÚre, R Dovesi
Physical Chemistry Chemical Physics 19 (33), 22221-22229, 2017
222017
Substitutional nitrogen in diamond: A quantum mechanical investigation of the electronic and spectroscopic properties
AM Ferrari, S Salustro, FS Gentile, WC Mackrodt, R Dovesi
Carbon 134, 354-365, 2018
202018
Raman spectrum of pyrope garnet. A quantum mechanical simulation of frequencies, intensities, and isotope shifts
L Maschio, B Kirtman, S Salustro, CM Zicovich-Wilson, R Orlando, ...
The Journal of Physical Chemistry A 117 (45), 11464-11471, 2013
202013
The electronic states of the neutral vacancy in diamond: a quantum mechanical approach
A Zelferino, S Salustro, J Baima, V Lacivita, R Orlando, R Dovesi
Theoretical Chemistry Accounts 135 (3), 74, 2016
192016
Characterization of the B-center defect in diamond through the vibrational spectrum: A quantum-mechanical approach
S Salustro, AM Ferrari, FS Gentile, JK Desmarais, M RÚrat, R Dovesi
The Journal of Physical Chemistry A 122 (2), 594-600, 2018
182018
Third-order electric field response of infinite linear chains composed of phenalenyl radicals
S Salustro, L Maschio, B Kirtman, M Rérat, R Dovesi
The Journal of Physical Chemistry C 120 (12), 6756-6761, 2016
172016
Comparison between cluster and supercell approaches: the case of defects in diamond
S Salustro, AM Ferrari, R Orlando, R Dovesi
Theoretical Chemistry Accounts 136 (4), 42, 2017
162017
The A-center defect in diamond: quantum mechanical characterization through the infrared spectrum
S Salustro, G Sansone, CM Zicovich-Wilson, Y Noel, L Maschio, R Dovesi
Physical Chemistry Chemical Physics 19 (22), 14478-14485, 2017
142017
WIREs Comput
R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ...
Mol. Sci 8, e1360, 2018
122018
Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis
S Salustro, FS Gentile, P d'Arco, B Civalleri, M RÚrat, R Dovesi
Carbon 129, 349-356, 2018
112018
The V + I defects in diamond: An ab initio investigation of the electronic structure, of the Raman and IR spectra, and of their possible recombination
S Salustro, Y N÷el, CM Zicovich-Wilson, P Olivero, R Dovesi
The Journal of chemical physics 145 (18), 184701, 2016
112016
Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis
FS Gentile, S Salustro, G Di Palma, M Causß, P D’arco, R Dovesi
Theoretical Chemistry Accounts 137 (11), 154, 2018
102018
The characterization of the VNxHy defects in diamond through the infrared vibrational spectrum. A quantum mechanical investigation
S Salustro, FS Gentile, A Erba, P CarbonniÚre, KE El-Kelany, R Dovesi
Carbon 132, 210-219, 2018
102018
Vibrational spectroscopy of hydrogens in diamond: a quantum mechanical treatment
FS Gentile, S Salustro, JK Desmarais, AM Ferrari, P D'Arco, R Dovesi
Physical Chemistry Chemical Physics 20 (17), 11930-11940, 2018
82018
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 8, e1360 (2018)
R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ...
8
Looking for carbon atoms in diamond: a quantum mechanical study of interacting vacancies
G Sansone, S Salustro, Y NoŰl, L Maschio, WC Mackrodt, R Dovesi
Theoretical Chemistry Accounts 137 (2), 29, 2018
62018
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