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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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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
8222008
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
8221994
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
6542013
MOLDRAW: molecular graphics on a personal computer
P Ugliengo, D Viterbo, G Chiari
Zeitschrift fr Kristallographie-Crystalline Materials 207 (1-2), 9-24, 1993
3091993
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
2112008
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
2072006
Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Mller–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
1842011
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
1722001
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 Aren, E Garrone
The Journal of Physical Chemistry B 104 (47), 10978-10988, 2000
1662000
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
1582005
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
1562004
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
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
1402011
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 Lpez-Sepulcre, C Codella, ...
The Astrophysical Journal 850 (2), 176, 2017
1382017
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
1352009
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
1301996
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
1222008
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
1192006
Silanol as a model for the free hydroxyl of amorphous silica: ab-initio calculations of the interaction with water
P Ugliengo, V Saunders, E Garrone
Journal of Physical Chemistry 94 (6), 2260-2267, 1990
1191990
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
1181993
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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