Piero Ugliengo

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

Bartolomeo Civalleri, Claudio M. Zicovich‐Wilson, Loredana Valenzano et al. · CrystEngComm · 2007 · 901 citations

Crystal Structure, Engineering, Computational Chemistry +16

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

Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling

Silvia Bordiga, Piero Ugliengo, Alessandro Damin et al. · Topics in Catalysis · 2001 · 183 citations

Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Møller–Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations

Lorenzo Maschio, Bartolomeo Civalleri, Piero Ugliengo et al. · The Journal of Physical Chemistry A · 2011 · 179 citations

Molecular Solid, Engineering, Natural Sciences +14

Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2

Marta Corno, C. Busco, Bartolomeo Civalleri et al. · Physical Chemistry Chemical Physics · 2006 · 174 citations