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Disambiguation of "Orlando, Roberto"

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Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds.

, , , and . Journal of Computational Chemistry, 34 (17): 1476-1485 (2013)

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Other publications of authors with the same name

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code., , , , , and . Journal of Computational Chemistry, 25 (6): 888-897 (2004)Electron density analysis of large (molecular and periodic) systems: A parallel implementation., , , and . Journal of Computational Chemistry, 36 (26): 1940-1946 (2015)Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon., , , and . Journal of Computational Chemistry, 34 (5): 346-354 (2013)Calculation of the vibration frequencies of α-quartz: The effect of Hamiltonian and basis set., , , , , and . J. Comput. Chem., 25 (15): 1873-1881 (2004)A new massively parallel version of CRYSTAL for large systems on high performance computing architectures., , , , , and . Journal of Computational Chemistry, 33 (28): 2276-2284 (2012)The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code., , , and . Journal of Computational Chemistry, 29 (9): 1450-1459 (2008)Use of ab initio methods for the interpretation of the experimental IR reflectance spectra of crystalline compounds., , , and . Journal of Computational Chemistry, 34 (17): 1476-1485 (2013)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., , , , , and . Journal of Computational Chemistry, 32 (9): 1775-1784 (2011)Ab initio simulation of the IR spectra of pyrope, grossular, and andradite., , , , , and . Journal of Computational Chemistry, 29 (13): 2268-2278 (2008)Effects of multidimensional tunneling in the kinetics of hydrogen abstraction reactions of O (3P) with CH3OCHO., and . Journal of Computational Chemistry, 39 (20): 1424-1432 (2018)