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Piero Ugliengo
Piero Ugliengo
Professor of Physical Chemistry, University of Torino
Email verificata su unito.it - Home page
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Anno
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo
CrystEngComm 10 (4), 405-410, 2008
8562008
Theoretical study of van der Waals complexes at surface sites in comparison with the experiment
J Sauer, P Ugliengo, E Garrone, VR Saunders
Chemical Reviews 94 (7), 2095-2160, 1994
8101994
Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments
A Rimola, D Costa, M Sodupe, JF Lambert, P Ugliengo
Chemical reviews 113 (6), 4216-4313, 2013
6912013
MOLDRAW: molecular graphics on a personal computer
P Ugliengo, D Viterbo, G Chiari
Zeitschrift für Kristallographie-Crystalline Materials 207 (1-2), 9-24, 1993
3131993
Realistic models of hydroxylated amorphous silica surfaces and MCM‐41 mesoporous material simulated by large‐scale periodic B3LYP calculations
P Ugliengo, M Sodupe, F Musso, IJ Bush, R Orlando, R Dovesi
Advanced Materials 20 (23), 4579-4583, 2008
2212008
Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca 10 (PO 4) 6 (OH) 2
M Corno, C Busco, B Civalleri, P Ugliengo
Physical Chemistry Chemical Physics 8 (21), 2464-2472, 2006
2142006
Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Møller–Plesset 2, dispersion-corrected density functional, and classical …
L Maschio, B Civalleri, P Ugliengo, A Gavezzotti
The Journal of Physical Chemistry A 115 (41), 11179-11186, 2011
1912011
Hydroxyls nests in defective silicalites and strained structures derived upon dehydroxylation: vibrational properties and theoretical modelling
S Bordiga, P Ugliengo, A Damin, C Lamberti, G Spoto, A Zecchina, ...
Topics in Catalysis 15, 43-52, 2001
1762001
Experimental and quantum chemical studies on the adsorption of carbon dioxide on alkali-metal-exchanged ZSM-5 zeolites
B Bonelli, B Civalleri, B Fubini, P Ugliengo, CO Areán, E Garrone
The Journal of Physical Chemistry B 104 (47), 10978-10988, 2000
1712000
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code
F Pascale, CM Zicovich-Wilson, R Orlando, C Roetti, P Ugliengo, ...
The Journal of Physical Chemistry B 109 (13), 6146-6152, 2005
1652005
Vibrational spectrum of brucite, Mg (OH) 2: a periodic ab initio quantum mechanical calculation including OH anharmonicity
F Pascale, S Tosoni, C Zicovich-Wilson, P Ugliengo, R Orlando, R Dovesi
Chemical Physics Letters 396 (4-6), 308-315, 2004
1652004
Seeds of life in space (SOLIS): the organic composition diversity at 300–1000 au scale in solar-type star-forming regions
C Ceccarelli, P Caselli, F Fontani, R Neri, A López-Sepulcre, C Codella, ...
The Astrophysical Journal 850 (2), 176, 2017
1562017
Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of …
M De La Pierre, R Orlando, L Maschio, K Doll, P Ugliengo, R Dovesi
Journal of computational chemistry 32 (9), 1775-1784, 2011
1482011
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules
M Corno, A Rimola, V Bolis, P Ugliengo
Physical Chemistry Chemical Physics 12 (24), 6309-6329, 2010
1462010
Affinity scale for the interaction of amino acids with silica surfaces
A Rimola, M Sodupe, P Ugliengo
The Journal of Physical Chemistry C 113 (14), 5741-5750, 2009
1392009
Ab initio study of the adducts of carbon monoxide with alkaline cations
AM Ferrari, P Ugliengo, E Garrone
The Journal of chemical physics 105 (10), 4129-4139, 1996
1331996
Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces
A Rimola, M Corno, CM Zicovich-Wilson, P Ugliengo
Journal of the American Chemical Society 130 (48), 16181-16183, 2008
1262008
Seeds of Life in Space (SOLIS)-II. Formamide in protostellar shocks: Evidence for gas-phase formation
C Codella, C Ceccarelli, P Caselli, N Balucani, V Barone, F Fontani, ...
Astronomy & Astrophysics 605, L3, 2017
1252017
Thermodynamic study of water adsorption in high-silica zeolites
V Bolis, C Busco, P Ugliengo
The Journal of Physical Chemistry B 110 (30), 14849-14859, 2006
1232006
Structural and induced heterogeneity at the surface of some silica polymorphs from the enthalpy of adsorption of various molecules
B Fubini, V Bolis, A Cavenago, E Garrone, P Ugliengo
Langmuir 9 (10), 2712-2720, 1993
1211993
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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