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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 16, 2013
Electronic properties and reactivity of simulated Fe(3+) and Cr(3+) substituted α-Al(2)O(3) (0001) surfaceJonas Baltrusaitis, Courtney Hatch, Roberto Orlando
Plant Cell Reports|February 8, 2019
Pectic enzymes as a selective pressure tool forin vitro recovery of strawberry plants with fungal disease resistanceRoberto Orlando, Paolo Magro, Eddo Rugini
The Journal of Physical Chemistry. A|July 11, 2012
Periodic DFT study of acidic trace atmospheric gas molecule adsorption on Ca- and Fe-doped MgO(001) surface basic sitesJonas Baltrusaitis, Courtney Hatch, Roberto Orlando
The Journal of Chemical Physics|November 14, 2023
The three channels of many-body perturbation theory: GW, particle-particle, and electron-hole T-matrix self-energiesRoberto Orlando, Pina Romaniello, Pierre-François Loos
Journal of Physics. Condensed Matter : an Institute of Physics Journal|July 1, 2011
Structure and stability of Mg-intercalated boron nanotubes and crystalline bundlesKah Chun Lau, Roberto Orlando, Ravindra Pandey
Journal of Chemical Theory and Computation|November 18, 2015
Ab Initio Calculation of the Ultraviolet-Visible (UV-vis) Absorption Spectrum, Electron-Loss Function, and Reflectivity of SolidsAnna Maria Ferrari, Roberto Orlando, Michel Rérat
Acta Crystallographica. Section B, Structural Science|May 23, 2009
A solution to the observed Z' = 2 preference in the crystal structures of hydrophobic amino acidsCarl Henrik Görbitz, Kristian Vestli, Roberto Orlando
Journal of Computational Chemistry|August 1, 2015
Electron density analysis of large (molecular and periodic) systems: A parallel implementationSilvia Casassa, Alessandro Erba, Jacopo Baima, et al.
The Journal of Chemical Physics|December 5, 2012
Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham methodLorenzo Maschio, Bernard Kirtman, Roberto Orlando, et al.
The Journal of Chemical Physics|July 2, 2010
Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF resultsRoberto Orlando, Valentina Lacivita, Radovan Bast, et al.
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