Antonio Tilocca

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Annabella SelloniProfessor of Chemistry, Princeton UniversityVerified email at princeton.edu
Alastair CormackNY State College of Ceramics at Alfred UniversityVerified email at alfred.edu
Pierfranco DemontisUniversità degli Studi di SassariVerified email at uniss.it
Suffritti G. B.Dipartimento di Chimica, SassariVerified email at uniss.it
Ettore FoisProfessor of Physical Chemistry, Insubria UniversityVerified email at uninsubria.it
Jamieson ChristieDepartment of Materials, Loughborough UniversityVerified email at lboro.ac.uk
Cristiana Di ValentinProfessore di Chimica Generale ed Inorganica, Università di Milano BicoccaVerified email at mater.unimib.it
Ulrike DieboldTU Wien / Vienna University of TechnologyVerified email at iap.tuwien.ac.at
Ashutosh GoelProfessor, Materials Science and Engineering, Rutgers University, USAVerified email at soe.rutgers.edu
Matthias BatzillProfessor of Physics, University of South FloridaVerified email at usf.edu
Saurabh KapoorSterlite technologiesVerified email at Stl.tech
Yunbin HeTulane University or Justus-Liebig-University Giessen or Hubei UniversityVerified email at hubu.edu.cn
Jörg KärgerLeipzig UniversityVerified email at physik.uni-leipzig.de
Filippo De AngelisUniversity of PerugiaVerified email at thch.unipg.it
Maria cristina MenzianiUniversità di Modena e Reggio EmiliaVerified email at unimore.it
Jorge Gulín-GonzálezProfesor de Física y Matemáticas, CEMC, Universidad de las Ciencias Informáticas (UCI)., La Habana (Cuba). Joint China-Cuba Laboratory for Frontier Research in Transnational NeurotechnologyVerified email at neuroinformatics-collaboratory.org
Vikram DhunaDAV college, Guru Nanak Dev UniversityVerified email at monash.edu
Renny MathewStockholm UniversityVerified email at mmk.su.se
Baltzar StevenssonStockholm UniversityVerified email at mmk.su.se
Maria VanoniProfessor of Biochemistry, University of MilanoVerified email at unimi.it

Antonio Tilocca

UCL

Verified email at ucl.ac.uk - Homepage

Bioactive Glasses Biomaterials TiO2 Molecular Dynamics


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Local ordering and electronic signatures of submonolayer water on anatase TiO₂(101) Y He, A Tilocca, O Dulub, A Selloni, U Diebold Nature materials 8 (7), 585-589, 2009	376	2009
Time-Dependent DFT Study of [Fe(CN)₆]^4- Sensitization of TiO₂ Nanoparticles F De Angelis, A Tilocca, A Selloni Journal of the American Chemical Society 126 (46), 15024-15025, 2004	264	2004
Structural models of bioactive glasses from molecular dynamics simulations A Tilocca Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2009	206	2009
The structure of bioactive silicate glasses: new insight from molecular dynamics simulations A Tilocca, AN Cormack, NH de Leeuw Chemistry of Materials 19 (1), 95-103, 2007	205	2007
Shell-model molecular dynamics calculations of modified silicate glasses A Tilocca, NH de Leeuw, AN Cormack Physical Review B—Condensed Matter and Materials Physics 73 (10), 104209, 2006	192	2006
Structural effects of phosphorus inclusion in bioactive silicate glasses A Tilocca, AN Cormack The Journal of Physical Chemistry B 111 (51), 14256-14264, 2007	190	2007
Structure and reactivity of water layers on defect-free and defective anatase TiO2 (101) surfaces A Tilocca, A Selloni The Journal of Physical Chemistry B 108 (15), 4743-4751, 2004	189	2004
Reaction pathway and free energy barrier for defect-induced water dissociation on the (101) surface of -anatase A Tilocca, A Selloni The Journal of chemical physics 119 (14), 7445-7450, 2003	173	2003
Vertical and lateral order in adsorbed water layers on anatase TiO2 (101) A Tilocca, A Selloni Langmuir 20 (19), 8379-8384, 2004	158	2004
Adsorption of Water on Reconstructed Rutile TiO2 (011)-(2× 1): Ti O Double Bonds and Surface Reactivity C Di Valentin, A Tilocca, A Selloni, TJ Beck, A Klust, M Batzill, Y Losovyj, ... Journal of the American Chemical Society 127 (27), 9895-9903, 2005	139	2005
On the unusual stability of Maya blue paint: molecular dynamics simulations E Fois, A Gamba, A Tilocca Microporous and Mesoporous Materials 57 (3), 263-272, 2003	134	2003
Methanol adsorption and reactivity on clean and hydroxylated anatase (101) surfaces A Tilocca, A Selloni The Journal of Physical Chemistry B 108 (50), 19314-19319, 2004	127	2004
Models of structure, dynamics and reactivity of bioglasses: a review A Tilocca Journal of Materials Chemistry 20 (33), 6848-6858, 2010	122	2010
Modeling the water− bioglass interface by ab initio molecular dynamics simulations A Tilocca, AN Cormack ACS Applied Materials & Interfaces 1 (6), 1324-1333, 2009	122	2009
Structure and dynamics of bioactive phosphosilicate glasses and melts from ab initio molecular dynamics simulations A Tilocca Physical Review B—Condensed Matter and Materials Physics 76 (22), 224202, 2007	106	2007
Short-and medium-range structure of multicomponent bioactive glasses and melts: an assessment of the performances of shell-model and rigid-ion potentials A Tilocca The Journal of chemical physics 129 (8), 2008	92	2008
Fluorine Environment in Bioactive Glasses: ab Initio Molecular Dynamics Simulations JK Christie, A Pedone, MC Menziani, A Tilocca The journal of physical chemistry B 115 (9), 2038-2045, 2011	91	2011
The color and stability of Maya Blue: TDDFT calculations A Tilocca, E Fois The Journal of Physical Chemistry C 113 (20), 8683-8687, 2009	91	2009
Sodium migration pathways in multicomponent silicate glasses: Car–Parrinello molecular dynamics simulations A Tilocca The Journal of chemical physics 133 (1), 2010	89	2010
Detecting fabric defects with a neural network using two kinds of optical patterns A Tilocca, P Borzone, S Carosio, A Durante Textile Research Journal 72 (6), 545-550, 2002	89	2002

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