UGLIENGO, Piero

UGLIENGO, Piero  

CHIMICA  

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Risultati 1 - 20 di 341 (tempo di esecuzione: 0.029 secondi).
Titolo Data di pubblicazione Autore(i) File
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 2007 S. TOSONI; C. TUMA; J. SAUER; B. CIVALLERI; P. UGLIENGO
A Computational Multiscale Approach to the Modeling of dynamical properties of 45S5 Bioglass® 2008 M. Corno; A. Pedone; M. C. Menziani; R. Dovesi; P. Ugliengo
A computational multiscale strategy to the study of amorphous materials 2007 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 M.Corno; E. Pinatel; P. Ugliengo; M.Baricco
A computational study on the effect of fluorine substitution in LiBH4 2011 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 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 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 F. GEOBALDO; P. RIVOLO; P. UGLIENGO; E. GARRONE
A periodic ab initio study of the structure and relative stability of silica polymorphs 1998 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 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 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 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 F. J. TORRES; P. UGLIENGO; B. CIVALLERI; A. TERENTYEV; C. PISANI
Ab initio modelling of complex systems with MPPcrystal 2011 Piero Ugliengo
Ab initio and experimental study of the interaction of nitrous oxide with the isolated hydroxyl of silica 1993 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 Perrero J.; Rimola A.; Corno M.; Ugliengo P.
Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization 2021 Pantaleone S.; Corno M.; Rimola A.; Balucani N.; Ugliengo P.
Ab Initio Conformational Study of the Phenylisoserine Side Chain of Paclitaxel 1999 M. MILANESIO; P. UGLIENGO; D. VITERBO; G. APPENDINO
Ab initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites 2008 B. Civalleri; F. J. Torres; R. Demichelis; A. Terentyev; P. Ugliengo
Ab initio modeling of layered materials with the CRYSTAL code: an overview 2009 B. Civalleri; P. Ugliengo; C. M. Zicovich-Wilson; R. Dovesi