| 1 |
Raman Spectrum of Pyrope Garnet. A Quantum Mechanical Simulation of Frequencies, Intensities, and Isotope Shifts
Maschio L, Kirtman B, Salustro S, Zicovich-Wilson CM, Orlando R, Dovesi R
Journal of Physical Chemistry A, 117(45), 11464, 2013 |
| 2 |
The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)
Maschio L, Ferrabone M, Meyer A, Garza J, Dovesi R
Chemical Physics Letters, 501(4-6), 612, 2011 |
| 3 |
Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Moller-Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations
Maschio L, Civalleri B, Ugliengo P, Gavezzotti A
Journal of Physical Chemistry A, 115(41), 11179, 2011 |
| 4 |
Local MP2 periodic study of rare-gas crystals
Halo M, Casassa S, Maschio L, Pisani C
Chemical Physics Letters, 467(4-6), 294, 2009 |
| 5 |
DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice
Erba A, Casassa S, Maschio L, Pisani C
Journal of Physical Chemistry B, 113(8), 2347, 2009 |
