Roberto Orlando

Quantum‐mechanical condensed matter simulations with CRYSTAL

Roberto Dovesi, Alessandro Erba, Roberto Orlando et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2018 · 1.7K citations · Full text

Engineering, Crystal Program, Computational Chemistry +19

C<scp>RYSTAL14</scp>: A program for the<i>ab initio</i>investigation of crystalline solids

Roberto Dovesi, Roberto Orlando, Alessandro Erba et al. · International Journal of Quantum Chemistry · 2014 · 1.2K citations · Full text

Crystal Structure, Engineering, Computational Chemistry +16

The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code

Fabien Pascale, Claudio M. Zicovich‐Wilson, F. López Gejo et al. · Journal of Computational Chemistry · 2004 · 910 citations

Crystal Structure, Engineering, Computational Chemistry +19

CRYSTAL: a computational tool for the <i>ab initio</i> study of the electronic properties of crystals

Roberto Dovesi, Roberto Orlando, Bartolomeo Civalleri et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 906 citations

Crystal Structure, Engineering, Various Hybrid Approximations +19

Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set

Claudio M. Zicovich‐Wilson, Fabien Pascale, C. Roetti et al. · Journal of Computational Chemistry · 2004 · 513 citations

Mineral Physic, Engineering, Computational Chemistry +17