Lorenzo Maschio

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

Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study

Cesare Atzori, Greig C. Shearer, Lorenzo Maschio et al. · The Journal of Physical Chemistry C · 2017 · 240 citations · Full text

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

C. Pisani, Lorenzo Maschio, Silvia Casassa et al. · Journal of Computational Chemistry · 2008 · 234 citations

Engineering, Electronic Correlation, Computational Chemistry +20

<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