Piero Ugliengo

发表

Modeling Interstellar Amorphous Solid Water Grains by Tight-Binding Based Methods: Comparison Between GFN-XTB and CCSD(T) Results for Water Clusters

Aurèle Germain, Piero Ugliengo, P. Ugliengo, 2020, ICCSA.

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations

Nadia Balucani, Albert Rimola, Pierre Mignon, 2020, ICCSA.

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 forsterite Mg2SiO4

Roberto Dovesi, Roberto Orlando, Marco De La Pierre, 2011, J. Comput. Chem..

Nanoscience meets metrology. Book of abstracts

Gianmario Martra, Piero Ugliengo, Marco Fabbiani, 2016 .

J‐ICE: a new Jmol interface for handling and visualizing crystallographic and electronic properties

Richard J. Hanson, Maria Alfredsson, Piero Ugliengo, 2011 .

Topical collection of papers collected on the occasion of the XLI congress of the theoretical chemists of Latin expression (CHITEL 2015 - Torino - Italy)

Bartolomeo Civalleri, Roberto Dovesi, Roberto Orlando, 2016, Theoretical Chemistry Accounts.

A new massively parallel version of CRYSTAL for large systems on high performance computing architectures

Roberto Dovesi, Ian J. Bush, Roberto Orlando, 2012, J. Comput. Chem..

First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2021, J. Chem. Inf. Model..

Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models

Albert Rimola, Piero Ugliengo, Jessica Perrero, 2021, ICCSA.

Computing Binding Energies of Interstellar Molecules by Semiempirical Quantum Methods: Comparison Between DFT and GFN2 on Crystalline Ice

Piero Ugliengo, Marta Corno, Aurèle Germain, 2021, ICCSA.

Structural and induced heterogeneity at the surface of some silica polymorphs from the enthalpy of adsorption of various molecules

Piero Ugliengo, Bice Fubini, P. Ugliengo, 1993 .

In silico study of the interstellar prebiotic formation and delivery of glycine

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2011 .

Glycine Adsorption at Non-Stoichiometric ( 010 ) Hydroxyapatite Surfaces : a B 3 LYP study

Albert Rimola, Piero Ugliengo, Elisa Jimenez-Izal, 2022 .

MOLDRAW. Molecular graphics on a personal computer

Piero Ugliengo, Giacomo Chiari, Davide Viterbo, 1993 .

Can Cu+-Exchanged Zeolites Store Molecular Hydrogen? An Ab-Initio Periodic Study Compared with Low-Temperature FTIR

Piero Ugliengo, Mariona Sodupe, Giuseppe Spoto, 2004 .

Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study

Albert Rimola, Piero Ugliengo, Elisa Jimenez-Izal, 2012 .

Deep-space glycine formation via Strecker-type reactions activated by ice water dust mantles. A computational approach.

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2010, Physical chemistry chemical physics : PCCP.

Testing the combination of Hartree–Fock exchange and Wilson–Levy correlation for weakly bonded extended systems

Bartolomeo Civalleri, Roberto Orlando, Piero Ugliengo, 2008 .

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments.

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2013, Chemical reviews.

A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: formic acid as a test case.

Bartolomeo Civalleri, Joachim Sauer, Piero Ugliengo, 2007, The Journal of chemical physics.

Vitamin C at 120 K: experimental and theoretical study of the charge density

Bartolomeo Civalleri, Piero Ugliengo, Davide Viterbo, 1996 .

Density functional study of hydrogen-bonded systems: Energetic and vibrational features of some gas-phase adducts of hydrogen fluoride

Bartolomeo Civalleri, Piero Ugliengo, E. Garrone, 1997 .

The vibrational features of hydroxylapatite and type A carbonated apatite: A first principle contribution

Piero Ugliengo, Giovanni Valdrè, Marta Corno, 2013 .

Vitamin C at 120 K: experimental and theoretical study of the charge density 1 Dedicated to Linus Pauling, a giant in chemistry and in life. 1

Marco Milanesio, Piero Ugliengo, Davide Viterbo, 1997 .

The structural, electronic and vibrational properties of LiOH and NaOH: an ab initio study

Roberto Dovesi, Piero Ugliengo, Klaus Doll, 2004 .

MOLDRAW: molecular graphics for MS-WINDOWS

Piero Ugliengo, Giacomo Chiari, Davide Viterbo, 1996 .

Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab initio study with the CRYSTAL code.

Roberto Dovesi, Roberto Orlando, Piero Ugliengo, 2005, The journal of physical chemistry. B.

Role of dispersive interactions in the CO adsorption on MgO(001): periodic B3LYP calculations augmented with an empirical dispersion term.

Bartolomeo Civalleri, Lorenzo Maschio, Piero Ugliengo, 2010, Physical chemistry chemical physics : PCCP.

MOLDRAW: a program to display and manipulate molecular and crystalline structures

Piero Ugliengo, P. Ugliengo, 2008 .

Affinity Scale for the Interaction of Amino Acids with Silica Surfaces

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2009 .

COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2012 .

Does adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculations.

Massimiliano Aschi, Albert Rimola, Roberto Orlando, 2012, Journal of the American Chemical Society.

Theoretical Study of van der Waals Complexes at Surface Sites in Comparison with the Experiment

Joachim Sauer, Piero Ugliengo, E. Garrone, 1994 .