BROCHURE

Silvia Carlotto

Visiting Researcher / Visiting Teacher

Organizing Committee

Italy

Univesitat de Valencia

PUBLICATIONS

  • F. Sedona, M.M. Seyyed Fakhrabadi, S. Carlotto, E. Mohebbi, F. De Boni, M. Casarin, M. Sambi, "On-surface synthesis of extended linear graphyne molecular wires by protecting the alkynyl group".
     
  • Carlotto, E. Mohebbi, F. Sedona, M. Lo Cicero, L. Colazzo, C. Mariani, M.G. Betti, M. Sambi, M. Casarin, "An experimental and theoretical study of metallorganic coordination networks of tetrahydroxyquinone.
     
  • S. Carlotto, P. Finetti, M. de Simone, M. Coreno, G. Casella, M. Sambi, M. Casarin, "Comparative Experimental and Theoretical Study of the C and O K-edge X-ray Absorption Spectroscopy in Three Highly Popular, Low Spin Organoiron Complexes ([Fe(CO)5], [(η5- C5H5)Fe(CO)(μ-CO)]2 and [(η5-C5H5)2Fe])".
     
  • S. Carlotto, A. Bonna, K. Bossak-Ahmad, W. Bal, M. Porchia, M. Casarin, F. Tisato, "Coordinative unsaturated CuI entities are crucial intermediates governing cell internalization of copper. A combined experimental ESI-MS and DFT study", Metallomics.
     
  • G. Casella, C. Fonseca Guerra, S. Carlotto, P. Sgarbossa, R. Bertani, M. Casarin, "New light on an old debate: does the RCN–PtCl2 bond include any back-donation? RCN←PtCl2 backbonding vs. the IR νC≡N blue-shift dichotomy in organonitriles–platinum(II) complexes. A thorough density functional theory–energy decomposition analysis study".
     
  • S. Carlotto, G. Casella, L. Floreano, A. Verdini, A.P.C. Ribeiro, L.M.D.R.S. Martins, M. Casarin, "Spin State, Electronic Structure and Bonding on C-Scorpionate [Fe(II)Cl2(tpm)] Catalyst: an Experimental and Computational study".
     
  • S. Carlotto, P. Finetti, M. de Simone, M. Coreno, G. Casella, M. Sambi, M. Casarin, "Comparative Experimental and Theoretical Study of the Fe L2,3-Edges X-ray Absorption Spectroscopy in Three Highly Popular, Low-Spin Organoiron Complexes: [Fe(CO)5], [(η5- C5H5)Fe(CO)(μ-CO)]2, and [(η5-C5H5)2Fe]", Inorganic Chemistry.
     
  • S. Carlotto, "Transition metail systems: a theoretical modeling of their L2,3-edge X-ray absorption spectra".
     
  • F. Sedona, M. Lo Cicero, S. Carlotto, A. Basagni, M. M. S. Fakhrabadi, M. Casarin, M. Sambi, "Substrate involvement in dioxygen bond dissociation catalysed by iron phthalocyanine supported on Ag(100)".
     
  • M. M. Natile, S. Carlotto, G. Bizzotto, A. Vittadini, A. Glisenti, "Small Copper Clusters Supported on SrTiO3: An Experimental and Theoretical Study ".
     
  • M. Casarin, S. Carlotto, "Pigments of Life”, Well Suited Molecules to Look into the Metal-Ligand Symmetry-Restricted Covalency".
     
  • S. Carlotto, M. Sambi, M. Rancan, M. Casarin, "A Theoretical Investigation of the Electronic Properties of Three Vanadium Phthalocyaninato (Pc) Based Complexes: PcV, PcVO, and PcVI".
     
  • S. Carlotto, M. M. Natile, A. Glisenti, A. Vittadini, "Mechanisms of NO Reduction in a CO−NO Atmosphere at Co- and Cu-Doped SrTiO3(100) Surfaces".
     
  • S. Carlotto, L. Pandolfo, M. Casarin, "Trinuclear Cu(II) complexes from the classic [Cu2(RCOO)4(H2O)2] lantern complex and pyrazole: a DFT modelling of the reaction path".
     
  • S. Carlotto, L. Floreano, A. Cossaro, M. Dominguez, M. Rancan, M. Sambi, M. Casarin, "The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study".
     
  • S. Carlotto, M. Sambi, A. Vittadini, M. Casarin, "Mn(acac)2 and Mn(acac)3 complexes, a theoretical modeling of their L2,3-edges X-ray absorption spectra".
     
  • S. Carlotto, A. Glisenti, M. M. Natile, J.-F. Paul, D. Blanck, A. Vittadini, "Energetics of CO Oxidation on Lanthanide-free Perovskite Systems: the case of Co-doped SrTiO3".
     
  • S. Carlotto, M. Sambi, F. Sedona, A. Vittadini, J. Bartolomé, F. Bartolomé, M. Casarin, ""L2,3- edges absorption spectra of a 2D complex system: a theoretical modelling".
     
  • G. Mangione, M. Sambi, S. Carlotto, A. Vittadini, G. Ligorio, M. Timpel, L. Pasquali, A. Giglia, M.V. Nardi, M. Casarin, "Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study II".
     
  • G. Mangione, S. Carlotto, M. Sambi, G. Ligorio, M. Timpel, A. Vittadini, M. V. Nardi, M. Casarin, "Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I".
     
  • S. Carlotto, M. Sambi, A. Vittadini, M. Casarin, "Theoretical modeling of the L2,3-edge X-ray absorption spectra of Mn(acac)2 and Co(acac)2 complexes".
     
  • S. Carlotto, M. M. Natile, A. Glisenti, A. Vittadini, "Adsorption of CO and formation of carbonates at steps of pure and Co-doped SrTiO3 surfaces by DFT calculations".
     
  • S. Carlotto, M. Casarin, A. Lanza, F. Nestola, L. Pandolfo, C. Pettinari, R. Scatena, "Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a 1D Coordination Polymer and Unexpected Dehydrochlorination Reaction".
     
  • S. Carlotto, M. M. Natile, A. Glisenti, A. Vittadini, "Adsorption of small molecules at the cobalt- doped SrTiO3 (001) surface: A first-principles investigation ".
     
  • Glisenti, M. M. Natile, S. Carlotto, A. Vittadini, Co- and Cu-Doped Titanates: Toward a New Generation of Catalytic Converters”.
     
  • S. Carlotto, "Theoretical Investigation of the Open Circuit Voltage: P3HT/9,9'-Bisfluorenylidene Derivative Devices".
     
  • S. Carlotto, M. Zerbetto, “Computational Study of Environmental Effects on Torsional Free Energy Surface of N-Acetyl-N-Methyl-L-alanylamide Dipeptide”.
     
  • S. Carlotto, M. M. Natile, A. Glisenti, A. Vittadini, “Electronic structure of SrTi1-xMxO3- (M = Co, Ni, Cu) perovskite-type doped-titanate crystals by DFT and DFT + U calculations”.
     
  • L. Orian, S. Carlotto, M. Di Valentin, A. Polimeno, “Charge transfer in model bio-inspired carotene-porphyrin dyads”.
     
  • S. Carlotto, L. Orian, A. Polimeno, “Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study”.
     
  • S. Carlotto, M. Zerbetto, M.H. Shabestari, A. Moretto, F. Formaggio, M. Crisma, C. Toniolo, M. Hüber, A. Polimeno, “In-silico interpretation of cw-ESR at 9 and 95 GHz of Mono- and bis- TOAC-Labeled Aib-Homopeptides in Fluid and Frozen Acetonitrile”.
     
  • S. Carlotto, L. Orian, M. Di Valentin, A. Polimeno , I. Fortunati, N. Rossetto, R. Signorini, C. Ferrante, S. Carlotto, A. Polimeno, “Strategy for the improvement of mixing in microdevices”, La Houille Blanche.
     
  • E. Collini, S. Carlotto, C. Ferrante, R. Bozio, A. Polimeno, J. Bloino, V. Barone, E. Ronchi, L. Beverina, G.A. Pagani, “Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region”.
     
  • F. Todescato, I. Fortunati, S. Carlotto, C. Ferrante, L. Grisanti, C. Sissa, A. Painelli, A. Colombo, C. Dragonetti, D. Roberto, “Dimers of polar chromophores in solution: role of excitonic interactions one- and two-photon absorption properties”.
     
  • S. Carlotto, I. Fortunati, C. Ferrante, P. Schwille, A. Polimeno, “Time correlated fluorescence characterization of an asymmetrically focused flow in a microfluidic device”, Microfluidics and Nanofluidics.
     
  • S. Carlotto, C. Ferrante, A. Polimeno, C. Benzi, V. Barone, “Interpretation of the emission fluorescence spectra of two fluoro-ionophores.
     
  • S. Carlotto, A. Polimeno, “Time-Evolution equations for particle dispersions in Nematic liquid crystal media”.
     
  • S. Carlotto, R. Riccò, C. Ferrante, M. Maggini, A. Polimeno, C. Benzi, V. Barone, “An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments”.
     
  • S. Carlotto, A. Polimeno, “Evaluation of translational friction coefficients of macroscopic probes in nematic liquid crystals”.
     
  • S. Carlotto, A. Polimeno, C. Ferrante, C. Benzi, V. Barone, “Integrated Approach for Modeling the Emission Fluorescence of 4-(N,N-Dimethylamino) benzonitrile in Polar Environments”.
     
  • Polimeno, S. Carlotto, “Evaluation of translational friction coefficients of micro-sized spherical probes in nematic liquid crystals”.
     
  • S. Carlotto, P. Cimino, M. Zerbetto, L. Franco, C. Corvaja, M. Crisma, F. Formaggio, C. Toniolo, A. Polimeno, V. Barone, "Unraveling Solvent-Driven Equilibria between α- and 310-Helices through an Integrated Spin Labeling and Computational Approach”.
     
  • M. Zerbetto, S. Carlotto, A. Polimeno, C. Corvaja, L. Franco, C. Toniolo, F. Formaggio, V. Barone, P. Cimino, “Ab Initio Modeling of CW-ESR Spectra of the Double Spin Labeled Peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in Acetonitrile”.

EDUCATION

•   Dates (from-to) September 16-20, 2013
•   Name and type of organization providing education and training Imperial  College, London, UK
•   Principal subjects/occupational skills covered - International school of Ab- Initio Modelling in Solid State Chemistry


•   Dates (from-to) 2011
•   Name and type of organization providing education and training University of Padua, Padua, Italy
•   Principal subjects/occupational skills covered - Thesis title: "L’ascesa al Principio e la discesa: Platone e Plotino a confronto" Advisor: Prof. Cristina Rossitto

•   Title of qualification awarded  -  Laurea magistrale in Philosophical Sciences (specialization in ancient philosophy), grade 110/110 cum Laude

 

•   Dates (from-to) 2008
•   Name and type of organization providing education and training University of Padua, Padua, Italy
•   Principal subjects/occupational skills covered - Thesis title: "Il mito di Er nel  libro X della Repubblica di Platone " Advisor: Prof. Cristina Rossitto.                 

•   Title of qualification awarded -  Laurea triennale in Philosophy (specialization in ancient philosophy), grade 110/110 cum Laude                                                                                                          


•    Dates (from-to) 2005-2007
•    Name and type of organization providing education and training University of Padua, Padua, Italy
•   Principal subjects/occupational.skills covered - Thesis title: "Modeling of dynamic solvation effects" Advisor: Prof. Antonino Polimeno.
•   Title of qualification awarded -  Ph. D. in Molecular Science(specialization Chemical Sciences)                                                                       

 

•     Dates (from-to) July 1-5, 2007
•     Name and type of organization providing education and training Tarragona, Spain
•     Principal subjects/occupational skills covered - Electron-Nuclear Spin interaction school                                                                                  

 

•     Dates (from-to) July 31 - August 11, 2006
•     Name and type of organization providing education and training University of Urbana-Champaign, Illinois, USA          ​
•     Principal subjects/occupational skills covered - Summer School on Computational Material Science: Ab-Initio Molecular Dynamics Simulation Methods in Chemistry               
                                                                                               

•     Dates (from-to) July, 2006
•     Name and type of organization providing education and training University of Naples Federico II, Naple, Italy

•     Principal subjects/occupational skills covered - Research stage at the Laboratory of Structure and Dynamics of  Molecules, in the group of Prof. Vincenzo Barone

                                                                          

•      Dates (from-to) September 24 - October 2, 2005
•      Name and type of organization providing education and training Center   of Scientific Culture "Ettore Majorana", Erice, Trapani, Italy                         
 •     Principal subjects/occupational skills covered - International School of  Liquid Crystal: Nanoscale Self-Organizing Multifunctional Organic Materials

                                                                 

•     Dates (from-to) September, 7-9, 2005
•     Name and type of organization providing education and training University of Padua, Brixen, Italy                    
•     Principal subjects/occupational skills covered National School of Biophysics: Surface and Biosystems                      

 

•    Dates (from-to) 1999-2004
•    Name and type of organization providing education and training University of Padua, Padua, Italy                     
•    Principal subjects/occupational skills covered - Thesis title: "Modelli diffusivi per fluoroionofori in solventi polari " Advisor: Prof. Antonino Polimeno               
•    Title of qualification awarded  -   Laurea (M.Sc. equivalent) in Chemistry (specialization in physical chemistry), grade 110/110                                                                                            

 

COLLABORATIONS

  • Prof. V. Barone                                              Scuola Normale Superiore di Pisa,                                                                           Pisa (Italy)
  • Prof. A. Painelli                                              University of Parma, Parma (Italy)
  • Prof. D. Roberto                                             University of Milan, Milano (Italy)
  • Dr. P. Cimino                                                  University of Salerno, Fisciano-                                                                               Salerno (Italy)
  • Prof. G.A. Pagani                                           University of Milan-Bicocca, Milano                                                                         (Italy)
  • Prof. P. Schwille                                             Technische Universität Dresden,                                                                             Dresden (Germany)
  • Prof. C. Pettinari                                             University of Camerino (Italy)
  • Prof. J.F. Paul                                                 University of Lille (France)
  • Prof. M. Hüber                                                Leiden University, Leiden (The                                                                                Netherlands)
  • Prof. J. Bartolomè                                           University of Zaragoza (Spain)
  • Prof. L. M. Martins                                           ISEL - Instituto Superior de                                                                                    Engenharia de Lisboa   (Portugal)
  • Prof. A. I. Poblador-Bahamonde                     University of Geneva (Switzerland)
  • Prof. Yoshitaka Umeno                                    University of Tokyo (Japan)
  • Prof. C Fonseca-Guerra Vrije                          Universiteit Amsterdam (The                                                                                   Netherlands)
  • Prof. H. Ascolani                                              Bariloche atomic center and                                                                            Instituto Balseiro, CNEA (Argentina)
  • Prof. W. Bal                                                      Polish Academy of Sciences,                                                                                   Warsaw (Poland)
  • Prof. Emiel JM Hensen                                    Technische Universiteit                                                                                           Eindhoven (The Netherlands)