Roberto Orlando

The calculation of static polarizabilities of 1‐3D periodic compounds. the implementation in the crystal code

Mauro Ferrero, Michel Rérat, Roberto Orlando et al. · Journal of Computational Chemistry · 2008 · 267 citations

Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM‐41 Mesoporous Material Simulated by Large‐scale Periodic B3LYP Calculations

Piero Ugliengo, Mariona Sodupe, Federico Musso et al. · Advanced Materials · 2008 · 231 citations

<i>Ab initio</i> analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory

Lorenzo Maschio, Bernard Kirtman, Michel Rérat et al. · The Journal of Chemical Physics · 2013 · 217 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

<i>Ab initio</i> simulation of the IR spectra of pyrope, grossular, and andradite

Claudio M. Zicovich‐Wilson, F. Javier Torres, Fabien Pascale et al. · Journal of Computational Chemistry · 2008 · 86 citations

Optical Materials, Engineering, Crystal Growth Technology +22