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Disambiguation of "Dovesi, Roberto"

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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)

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Other publications of authors with the same name

Calculation of the vibration frequencies of α-quartz: The effect of Hamiltonian and basis set., , , , , and . J. Comput. Chem., 25 (15): 1873-1881 (2004)How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds, , , and . Journal of computational chemistry, 44 (2): 65-75 (2023)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)On the Use of Benchmarks for Multiple Properties., , , , and . Computation, 4 (2): 20 (2016)Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon., , , and . Journal of Computational Chemistry, 34 (5): 346-354 (2013)Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code., , , and . Comput. Phys. Commun., 180 (10): 1753-1759 (2009)The CRYSTAL code, 1976-2020 and beyond, a long story, , , , , , , , , and 10 other author(s). Journal of Chemical Physics, (2020)The role of the A monovalent cation in the AVF(3) perovskite series : A quantum mechanical investigation, , , , and . Physical chemistry, chemical physics, 25 (18): 12961-12973 (2023)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)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)