IL PORTALE per la RICERCA dei DIPARTIMENTI

ANNA MARIA FERRARI (2011) "'DFT MODELING OF ANATASE NANOTUBES"

Carlo Lamberti (2011) "17 keV-photon induced damage of Bi-2212 whiskers by synchrotron µ-beam exposure"

C. Riedo, O. Chiantore (2011) "A round robin exercise in archaeometry: analysis of a blind sample reproducing a XVII century pharmaceutical ointment."

ANNA MARIA FERRARI, ROBERTO ORLANDO (2011) "AB INITIO MODELING OF TRITITANATE NANOTUBES"

M. Baricco (2011) "Above room temperature heat capacity and phase transition of lithium tetrahydroborate"

M.R. Chierotti, R. Gobetto (2011) "Acid–Base Interaction between Transition-Metal Hydrides: Dihydrogen Bonding and Dihydrogen Evolution"

Fabio Chiatti, Marta Corno, Yuriy Sakhno, Gianmario Martra, Piero Ugliengo (2011) "Affinity of hydroxyapatite (001) and (010) surfaces to formic and alendronic acids: a quantum-mechanical and infrared study"

A. Erba, S. Casassa (2011) "Anisotropy of the electron momentum distribution in alpha-quartz investigated by Compton scattering and ab initio simulation"

F. Boccuzzi (2011) "Application of the Temkin Model to the Adsorption of CO on Gold"

Bartolomeo Civalleri, Lorenzo Maschio, Roberto Dovesi (2011) "Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH"

S. Bordiga (2011) "Assessing the surface sites of the large pore 3-dimensional microporous material H-ITQ-7 using FT-IR spectroscopy and molecular probes"

A. Erba, S. Casassa, L. Maschio (2011) "Beyond a single-determinantal description of the density matrix of periodic systems: Experimental versus theoretical Compton pro¿les of crystalline silicon"

M. Baricco (2011) "Bromide substitution in lithium borohydride, LiBH4-LiBr"

Boccuzzi F, Vindigni F (2011) "CO-free hydrogen production over Au/CeO2-Fe2O3 catalysts: Part 1. Impact of the support composition on the performance for the preferential CO oxidation reaction"

SAKHNO Y (2011) "Color and Fluorescence of Polytetrafluoroethylene Treated by γ-Irradiation Near the Melting Point"

P. Rizzi, A. Castellero, L. Battezzati (2011) "Constrained deformation of an Al based amorphous alloy by cold rolling"

S. Bordiga (2011) "Conversion of methanol over 10-ring zeolites with differing volumes at channel intersections: comparison of TNU-9, IM-5, ZSM-11 and ZSM-5"

Trotta F, Bordiga S (2011) "Cyclodextrin nanosponges as effective gas carriers"

Francesco Trotta (2011) "Cyclodextrin-based nanosponges for delivery of resveratrol: in vitro characterization, stability, cytotoxicity and permeation study"

E. Groppo, S. Bordiga, G. Spoto, M. Baricco (2011) "Dehydrogenation reactions of 2NaBH4+MgH2 system"

JinHyung Park, Claudia Barolo, Guido Viscardi (2011) "Design and Development of Novel Linker for PbS Quantum Dots/TiO2Mesoscopic Solar cell"

O. Abollino, M. Malandrino (2011) "Determination and assessment of the contents of essential and potentially toxic elements in Ayurvedic medicine formulations by inductively coupled plasma-optical emission spectrometry"

Sara Maurelli, Mario Chiesa, Elio Giamello (2011) "Direct spectroscopic evidence for binding of anastrozole to the iron heme of human aromatase. Peering into the mechanism of aromatase inhibition"

B. Civalleri, S. Bordiga, C. Lamberti (2011) "Disclosing the complex structure of UiO-66 Metal Organic Framework: a synergic combination of experiment and theory"

Ugliengo P. (2011) "Do H-Bond Features of Silica Surfaces Affect the H(2)O and NH(3) Adsorption? Insights from Periodic B3LYP Calculations"

Aina V (2011) "Effects of TiO2-containing phosphate glasses on solubility and in vitro biocompatibility"

Roberto Dovesi (2011) "Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems"

L. Maschio, S. Casassa (2011) "Electron correlation decides the stability of cubic versus hexagonal boron nitride."

Sara Maurelli, Mario Chiesa, Gloria Berlier (2011) "Elucidating the Nature and Reactivity of Ti Ions Incorporated in the Framework of AlPO-5 Molecular Sieves. New Evidence from 31P HYSCORE Spectroscopy"

Groppo E. (2011) "Enhancing the Initial Rate of Polymerisation of the Reduced Phillips Catalyst by One Order of Magnitude"

Alessandro Erba, Lorenzo Maschio (2011) "Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon"

Corno M., Pinatel E., Ugliengo P., Baricco M. (2011) "Experimental and computational investigations on the AlH 3/AlF3 system"

R. Orlando, R. Dovesi (2011) "First-principles optical response of semiconductors and oxide materials"

SAKHNO Y (2011) "Fluorescent analysisofpolytetrafluoroethylenetreatedby gamma-irradiation nearthe meltingpoint"

MINERO C, MAURINO V, VIONE D (2011) "Formation of hydroxyl radicals by irradiated 1-nitronaphthalene (1NN): oxidation of hydroxyl ions and water by the 1NN triplet state"

O. Abollino (2011) "Fractionation and speciation of arsenic in three tea gardens soil profiles and distribution of As in different parts of tea plant (Camellia sinensis L.)"

VIONE D (2011) "GCxGC-MS hyphenated techniques for the analysis of volatile organic compounds in air"

Gloria Berlier (2011) "Growth of hydrothermally stable meso-porous silica structure interconnected around micro-porous zeolite crystals"

L. Maschio, S. Casassa (2011) "He-atom scattering from MgO(100): calculating diffraction peak intensities with a semi ab initio potential"

B. Civalleri (2011) "Heats of adsorption of CO and CO2 in metal-organic frameworks: Quantum mechanical study of CPO-27-M (M = Mg, Ni, Zn)"

S. Bordiga (2011) "How defects and crystal morphology control the effects of desilication"

S. Maurelli, S. Livraghi, M. Chiesa, E. Giamello (2011) "Hydration Structure of the Ti(III) Cation as Revealed by Pulse EPR and DFT Studies: New Insights into a Textbook Case"

Baricco M. (2011) "Hydrogen release and structural transformations in LiNH2-MgH2 systems"

S. Bordiga (2011) "Hydrogen storage properties and neutron scattering studies of Mg-2(dobdc)-a metal-organic framework with open Mg2+ adsorption sites"

M.C. Bruzzoniti (2011) "INFLUENCE OF FOREIGN IONS ON DETERMINATIONOF IONIC Ag IN WATER BY FORMATION OFNANOPARTICLES IN A FIA-TLS SYSTEM"

Ugliengo P. (2011) "In silico study of the interstellar prebiotic formation and delivery of glycine"

S. Bordiga (2011) "Infrared Spectroscopic Investigation of the Acidity and Availability of the Surface Hydroxyls of Three-Dimensional 12-Ring Zeotype H-ITQ-7"

C. Lamberti (2011) "Investigation of the valence electronic states of Ti(IV) in Ti silicalite-1coupling X-ray emission spectroscopy and density functional calculations"

Elena Groppo, Marcello Baricco (2011) "Iodide substitution in lithium borohydride, LiBH4-LiI"

Piero Ugliengo (2011) "J-ICE: a new Jmol interface for handling andvisualizing crystallographic and electronicproperties"

S. Bordiga, C. Lamberti (2011) "Methane conversion to light olefins – How does the methyl halide route differ from the methanol to olefins (MTO) route?”"

Quagliotto P. (2011) "Micellization Behavior of Cationic Gemini Surfactants in Aqueous-Ethylene Glycol Solution"

Nadia Barbero, Pierluigi Quagliotto (2011) "Micellization properties of mixed cationic gemini and cationic monomeric surfactants in aqueous-ethylene glycol mixture"

Gabriele Alberto, Gianmario Martra, Bice Fubini (2011) "Model system to study the influence of aggregation on the hemolytic potential of silica nanoparticles"

VIONE D, DE LAURENTIIS E, MAURINO V, MINERO C (2011) "Modelling the photochemical fate of ibuprofen in surface waters"

Valentina Aina, Giuseppina Cerrato (2011) "On the dissolution/reaction of small-grain Bioglass® 45S5 and F-modified bioactive glasses in artificial saliva (AS)"

VIONE D, MAURINO V, MINERO C (2011) "On the effect of 2-propanol on phenol photonitration upon nitrate photolysis"

Cristina Prandi (2011) "One-pot regio- and stereoselective synthesis of ¿’-methoxy-¿-pyrones. Biological evaluation as mitochondrial respiratory complex inhibitors"

Balantseva ¿.V. (2011) "Oxidativ destruction of porphyrins and metal porphyrins in polythermal conditions. "

Francesco Trotta (2011) "Paclitaxel loaded nanosponges: in-vitro characterization and cytotoxicity study on MCF-7 cell line culture"

Claudia Barolo (2011) "Panchromatic ruthenium sensitizer based on electron-rich heteroarylvinylene p-conjugated quaterpyridine for dye-sensitized solar cells"

MINERO C, VIONE D (2011) "Performance and selectivity of the terephthalic acid probe for °OH as a function of temperature, pH and composition of atmospherically relevant aqueous media"

R. Orlando, L. Maschio, P. Ugliengo, R. Dovesi (2011) "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."

S. Casassa, L. Maschio, R. Dovesi (2011) "Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN."

L. Maschio, S. Casassa (2011) "Periodic quantum mechanical simulation of the He–MgO(100) interaction potential"

Sordello F., Maurino V., Minero C. (2011) "Photocatalytic metamaterials: TiO2 inverse opals"

P. Calza, C. Minero (2011) "Photocatalytic transformation of flufenacet over TiO2 aqueous suspensions: Identification of intermediates and the mechanism involved"

MINERO C, MAURINO V, VIONE D (2011) "Photochemical and photosensitised reactions involving 1-nitronaphthalene and nitrite in aqueous solution"

VIONE D (2011) "Photochemical, microbial and metal complexation behavior of fluorescent dissolved organic matter in the aquatic environments"

P. Ugliengo, R. Dovesi (2011) "Physico-chemical features of aluminum hydroxides as modeled with the hybrid B3LYP functional and localized basis functions"

M. Ferrabone, R. Orlando, R. Dovesi (2011) "Polarizability and hyperpolarizability of BN zigzag nanotubes calculated by the coupled perturbed Kohn-Sham scheme"

R. Dovesi. (2011) "Properties of Carbon Nanotubes: An ab initio Study Using Large Gaussian Basis Sets and Various DFT Functionals"

A. Castellero, L. Battezzati, M. Baricco (2011) "Role of crystalline precipitates on the mechanical properties of (Cu0.50Zr0.50)100-xAlx (x = 4, 5, 7) bulk metallic glasses"

S. Bordiga (2011) "Selective Binding of O2 over N2 in a Redox-Active Metal-OrganicFramework with Open Iron(II) Coordination Sites"

S. Bordiga, E. Groppo (2011) "Selective Phenylacetylene Hydrogenation on a Polymer-Supported Palladium Catalyst Monitored by FTIR Spectroscopy"

VIONE D (2011) "Serum trace metal and ceruloplasmin variability in individuals treated for pulmonary tuberculosis"

P. Ugliengo (2011) "Silanol-Related and Unspecific Adsorption of Molecular Ammonia on Highly Dehydrated Silica"

M. Baricco (2011) "Sorption and desorption properties of a CaH2/MgB2/CaF2 Reactive Hydride Composite as potential hydrogen storage material"

F. Bonino, G. Berlier (2011) "Spectroscopic Investigation into the Nature of the Active Sites for Epoxidation Reactions Using Vanadium-Based Aluminophosphate Catalysts"

G. Berlier (2011) "Structural and spectroscopic investigation of ZnS nanoparticles grown in quaternary reverse micelles"

Eugenio R. Pinatel, Marcello Baricco (2011) "Structure and thermodynamic properties of the NaMgH3 perovskite: a comprehensive study"

F. Bonino, S. Bordiga (2011) "Structure-deactivation relationship for ZSM-5 catalysts governed by framework defects"

F. Vindigni (2011) "Surface and inner defects in Au/CeO2 WGS catalyst: relation between Raman properties, reactivity and morphology"

FENOGLIO I., MARTRA G., FUBINI B. (2011) "Surface iron inhibits quartz-induced cytotoxic and inflammatory responses in alveolar macrophages"

S. Bordiga, C. Lamberti, F. Bonino (2011) "Synthesis of titanium chabazite: a new shape selective oxidation catalyst with small pore openings and application in the production of methyl formate from methanol"

G. Ricchiardi, S. Bordiga (2011) "Tailoring Metal-Organic Frameworks for CO(2) Capture: The Amino Effect"

Roberto Dovesi, Anna M. Ferrari, Lorenzo Maschio (2011) "The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study"

M.R. Chierotti, R. Gobetto (2011) "The Thermodynamically Stable Form of Solid Barbituric Acid: The Enol Tautomer"

Eliano Diana (2011) "The Vibrational Spectra of the Cyanide Ligand Revisited. The ¿(CN) infrared and Raman spectroscopy of Prussian Blue and its analogues."

R. Orlando, M. Ferrabone, R. Dovesi (2011) "The first and second static electronic hyperpolarizabilities of zigzag boron nitride nanotubes. An ab initio approach through the coupled perturbed Kohn-Sham scheme"

S. Bordiga, C. Lamberti (2011) "The role of chlorine and additives on the density and strength of Lewis and Brønsted acidic sites of gamma-Al2O3 support used in oxychlorination catalysis: a FTIR study"

Maria Concetta Bruzzoniti (2011) "Thermal Lens Spectrometric Determination of Colloidal and Ionic Silver in Water"

Maria Paola Luda (2011) "Thermal hydrodehalogenation of 2,4-dibromophenol by polymeric materials"

F. Giordanino, C. Lamberti, S. Bordiga, F. Bonino (2011) "Ti-STT: A new zeotype shape selective oxidation catalyst"

C. Lamberti (2011) "Time Resolved In-situ XAFS study of the electrochemical oxygen intercalation in SrFeO2.5 Brownmillerite structure: comparison with the homologous SrCoO2.5 system"

Y. Sakhno, G. Martra, P. Ugliengo (2011) "Toward a Surface Science Model for Biology: Glycine Adsorption on Nanohydroxyapatite with Well-Defined Surfaces"

P. Bracco (2011) "Vitamin E-stabilized UHMWPE for Total Joint Implants: A Review"

Marcello Baricco (2011) "evidence of the Na2B12H12 and Na formation in the desorption pathway of the 2NaBH4 + MgH2 system"

L. Mino, C. Lamberti (2011) "µ-EXAFS, µ-XRF, and µ-PL Characterization of a Multi-Quantum-Well Electroabsorption Modulated Laser Realized via Selective Area Growth"

F. Boccuzzi (2011) "“CO-free hydrogen production over Au/CeO2-Fe2O3 catalysts: Part 2. Impact of the support composition on the performance in the water-gas shift reaction”"