UGLIENGO, Piero
UGLIENGO, Piero
CHIMICA
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case
2007-01-01 S. TOSONI; C. TUMA; J. SAUER; B. CIVALLERI; P. UGLIENGO
A Computational Multiscale Approach to the Modeling of dynamical properties of 45S5 Bioglass®
2008-01-01 M. Corno; A. Pedone; M. C. Menziani; R. Dovesi; P. Ugliengo
A computational multiscale strategy to the study of amorphous materials
2007-01-01 G. MALAVASI; M.C. MENZIANI; A. PEDONE; B. CIVALLERI; M. CORNO; P. UGLIENGO
A computational study of thermodynamic properties of M-H-F systems for hydrogen storage applications
2010-01-01 M.Corno; E. Pinatel; P. Ugliengo; M.Baricco
A computational study on the effect of fluorine substitution in LiBH4
2011-01-01 Corno M.; Pinatel E.; Ugliengo P.; Baricco M.
A Nearly Insulator Nanostructured Porous Silicon becomes either a p or an n-Type Semiconductor upon Gas Adsorption
2005-01-01 E. GARRONE; F. GEOBALDO; P. RIVOLO; G. AMATO; L. BOARINO; M. CHIESA; E. GIAMELLO; R. GOBETTO; P. UGLIENGO; A. VIALE
A new massively parallel version of CRYSTAL for large systems on High Performance Computing Architectures
2012-01-01 Roberto Orlando; Massimo Delle Piane; Ian J. Bush; Piero Ugliengo; Matteo Ferrabone; Roberto Dovesi
A new route to the surface functionalization of porous silicon
2004-01-01 F. GEOBALDO; P. RIVOLO; P. UGLIENGO; E. GARRONE
A periodic ab initio study of the structure and relative stability of silica polymorphs
1998-01-01 B. CIVALLERI; C. M. ZICOVICH-WILSON ; P. UGLIENGO; V. R. SAUNDERS; R. DOVESI
A quantum mechanical periodic ab initio approach to Materials Science: the CRYSTAL program
1999-01-01 ORLANDO R; DOVESI R; P. UGLIENGO; ROETTI C; SAUNDERS V. R
A quantum mechanical study of dehydration vs. decarbonylation of formamide catalysed by amorphous silica surfaces
2020-01-01 Pantaleone, Stefano; Salvini, Clara; Zamirri, Lorenzo; Signorile, Matteo; Bonino, Francesca; Ugliengo, Piero
A quantum mechanical study of the reactivity of (SiO)(2)-defective silica surfaces
2008-01-01 A. RIMOLA; P. UGLIENGO
A review of the computational studies of proton- and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code
2008-01-01 F. J. TORRES; P. UGLIENGO; B. CIVALLERI; A. TERENTYEV; C. PISANI
Ab initio modelling of complex systems with MPPcrystal
2011-01-01 Piero Ugliengo
Ab initio and experimental study of the interaction of nitrous oxide with the isolated hydroxyl of silica
1993-01-01 E. GARRONE; P. UGLIENGO; G. GHIOTTI; E. BORELLO; V. R. SAUNDERS
Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models
2021-01-01 Perrero J.; Rimola A.; Corno M.; Ugliengo P.
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization
2021-01-01 Pantaleone S.; Corno M.; Rimola A.; Balucani N.; Ugliengo P.
Ab Initio Conformational Study of the Phenylisoserine Side Chain of Paclitaxel
1999-01-01 M. MILANESIO; P. UGLIENGO; D. VITERBO; G. APPENDINO
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites
2008-01-01 B. Civalleri; F. J. Torres; R. Demichelis; A. Terentyev; P. Ugliengo
Ab initio modeling of layered materials with the CRYSTAL code: an overview
2009-01-01 B. Civalleri; P. Ugliengo; C. M. Zicovich-Wilson; R. Dovesi