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ORCIDRoberto Orlando
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2010 – 2019
- 2015
[j9]Silvia Casassa
, Alessandro Erba, Jacopo Baima, Roberto Orlando:
Electron density analysis of large (molecular and periodic) systems: A parallel implementation. J. Comput. Chem. 36(26): 1940-1946 (2015)- 2013
- [j8]Alessandro Erba, Matteo Ferrabone, Roberto Orlando, Roberto Dovesi:
Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon. J. Comput. Chem. 34(5): 346-354 (2013) - [j7]Marco De La Pierre, Cédric Carteret, Roberto Orlando, Roberto Dovesi:
Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds. J. Comput. Chem. 34(17): 1476-1485 (2013) - 2012
- [j6]Roberto Orlando, Massimo Delle Piane, Ian J. Bush, Piero Ugliengo, Matteo Ferrabone, Roberto Dovesi:
A new massively parallel version of CRYSTAL for large systems on high performance computing architectures. J. Comput. Chem. 33(28): 2276-2284 (2012) - 2011
- [j5]Marco De La Pierre, Roberto Orlando, Lorenzo Maschio, Klaus Doll, Piero Ugliengo, Roberto Dovesi:
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4. J. Comput. Chem. 32(9): 1775-1784 (2011)
2000 – 2009
- 2008
- [j4]Mauro Ferrero, Michel Rérat, Roberto Orlando, Roberto Dovesi:
The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code. J. Comput. Chem. 29(9): 1450-1459 (2008) - [j3]Claudio Marcelo Zicovich-Wilson, Fernando Javier Torres, Fabien Pascale, Loredana Valenzano, Roberto Orlando, Roberto Dovesi:
Ab initio simulation of the IR spectra of pyrope, grossular, and andradite. J. Comput. Chem. 29(13): 2268-2278 (2008) - 2004
- [j2]Fabien Pascale, Claudio Marcelo Zicovich-Wilson, F. López Gejo, Bartolomeo Civalleri, Roberto Orlando, Roberto Dovesi:
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. J. Comput. Chem. 25(6): 888-897 (2004) - [j1]Claudio Marcelo Zicovich-Wilson, Fabien Pascale, C. Roetti, V. R. Saunders, Roberto Orlando, Roberto Dovesi:
Calculation of the vibration frequencies of α-quartz: The effect of Hamiltonian and basis set. J. Comput. Chem. 25(15): 1873-1881 (2004)
Coauthor Index
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