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Identification

Personal identification

Full name
Silvia Carlotto

Citation names

  • Carlotto, Silvia

Author identifiers

Ciência ID
F016-6628-5005
ORCID iD
0000-0003-0043-3538
Education
Degree Classification
2011
Concluded
 Silvia Carlotto (Laurea Magistrale)
Università degli Studi di Padova, Italy
2008
Concluded
 Silvia Carlotto (Laurea)
Università degli Studi di Padova, Italy
"Modeling of dynamic solvation effects" (THESIS/DISSERTATION)
2005/01/01 - 2007/12/31
Concluded
 Silvia Carlotto (Dottorato di Ricerca)
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
"Modeling of dynamic solvation effects" (THESIS/DISSERTATION)
1999/10/01 - 2004/10/14
Concluded
 Silvia Carlotto (Laurea)
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Affiliation

Science

Category
Host institution 		Employer
2017/03/01 - Current Researcher (Research) Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
2018 - 2018 Visiting Researcher (Research) Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Univesity of Tokyo, Institute of Industial Science, Japan
2018 - 2018 Visiting Researcher (Research) Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Universitat de València, Spain
2018 - 2018 Visiting Researcher (Research) Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Technische Universiteit Eindhoven, Netherlands
Projects

Grant

Designation Funders
2018/02/01 - 2018/05/31 Mechanistic understanding of unusual Ir-carbene reactivity. A DFT Approach
Amalia Isobel Pablador Bahamonde
Research Fellow
Université de Genève, Switzerland
Concluded

Contract

Designation Funders
2014 - 2016 S3MArTA "Surface Self-assembled SupraMolecular Architectures, a Theoretically Approach"
PRAT CPDA134272/13
Post-doc Fellow
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Concluded
2012 - 2014 NEXTGENCAT (Development of NEXT GENeration cost efficient automotive CATalysts)
280890
Post-doc Fellow
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Concluded
2011 - 2012 HELIOS (Highly Efficient Light Interactions with Organized molecular Systems)
repertorio n.56-2011, protocollo n. 1635
Post-doc Fellow
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Concluded
2009 - 2011 MISCHA (MIcrofluidics laboratory for Scientific and teCHnological Applications)
repertorio n. 603-2009, protocollo n. 18522
Post-doc Fellow
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy
Concluded
Outputs

Publications

Conference paper
  1. Silvia Carlotto; MAURIZIO CASARIN; Lanza, A; Fabrizio Nestola; Pandolfo, C; Pettinari, C; Scatena, R. "Atti del XLIII Congresso Nazionale della Divisione di Chimica Inorganica della Società Chimica Italiana". 2015.
  2. Silvia Carlotto; MAURIZIO CASARIN; Lanza, Arianna; Fabrizio Nestola; LUCIANO PANDOLFO; Pettinari, Claudio; Scatena, Rebecca. "Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a 1D Coordination polymer and unexpected dehydrochlorination reaction". 2015.
  3. Silvia Carlotto; LAURA ORIAN; marilena di valentin; Antonino Polimeno. "Tuning charge transfer in model bio-inspired porphyrincarotenedyads". 2011.
  4. S. Colin and G. L. Morini; Fortunati, Ilaria; Rossetto, Nicola; Raffaella Signorini; CAMILLA FERRANTE; Silvia Carlotto; Antonino Polimeno. "Strategy for the improvement of mixing in microdevice". 2010.
  5. S. Colin and G. L. Morini; Silvia Carlotto; Antonino Polimeno. "Computational optimization of microfluidic devices via genetic algorithms". 2010.
Journal article
  1. Silvia Carlotto; Iulia Cojocariu; Vitaliy Feyer; Luca Floreano; Maurizio Casarin. "The Magnetic Behaviour of CoTPP Supported on Coinage Metal Surfaces in the Presence of Small Molecules: A Molecular Cluster Study of the Surface trans-Effect". Nanomaterials (2022): https://doi.org/10.3390/nano12020218.
    10.3390/nano12020218
  2. Candida Pipitone; Silvia Carlotto; Maurizio Casarin; Alessandro Longo; Antonino Martorana; Francesco Giannici. "Bi3+ doping in 1D ((CH3)3SO)PbI3: a model for defect interactions in halide perovskites". Journal of Materials Chemistry C (2022): https://doi.org/10.1039/D1TC05057E.
    10.1039/D1TC05057E
  3. Silvia Carlotto; Luca Babetto; Marco Bortolus; Alice Carlotto; Marzio Rancan; Gregorio Bottaro; Lidia Armelao; Donatella Carbonera; Maurizio Casarin. "Nature of the Ligand-Centered Triplet State in Gd3+ ß-Diketonate Complexes as Revealed by Time-Resolved EPR Spectroscopy and DFT Calculations". Inorganic Chemistry (2021): https://doi.org/10.1021/acs.inorgchem.1c01123.
    10.1021/acs.inorgchem.1c01123
  4. Candida Pipitone; Francesco Giannici; Antonino Martorana; Gonzalo García-Espejo; Silvia Carlotto; Maurizio Casarin; Antonietta Guagliardi; Norberto Masciocchi. "Heterovalent BiIII/PbII Ionic Substitution in One-Dimensional Trimethylsulfoxonium Halide Pseudo-Perovskites (X = I, Br)". The Journal of Physical Chemistry C 125 21 (2021): 11728-11742. https://doi.org/10.1021/acs.jpcc.1c02571.
    10.1021/acs.jpcc.1c02571
  5. Iulia Cojocariu; Silvia Carlotto; Henning Maximilian Sturmeit; Giovanni Zamborlini; Mirko Cinchetti; Albano Cossaro; Alberto Verdini; et al. "Ferrous to Ferric Transition in Fe-Phthalocyanine Driven by NO 2 Exposure". Chemistry – A European Journal 27 10 (2021): 3526-3535. https://doi.org/10.1002/chem.202004932.
    10.1002/chem.202004932
  6. Luca Babetto; Silvia Carlotto; Alice Carlotto; Marzio Rancan; Gregorio Bottaro; Lidia Armelao; Maurizio Casarin. "Multireference Ab Initio Investigation on Ground and Low-Lying Excited States: Systematic Evaluation of J–J Mixing in a Eu3+ Luminescent Complex". Inorganic Chemistry 60 1 (2021): 315-324. https://doi.org/10.1021/acs.inorgchem.0c02956.
    10.1021/acs.inorgchem.0c02956
  7. Silvia Carlotto; Fuhr, J. D.; Cossaro, A.; Verdini, A.; MAURIZIO CASARIN; Lingenfelder, M.; Gayone, J. E.; Floreano, L.; Ascolani, H.. "Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper". APPLIED SURFACE SCIENCE 551 (2021): https://www.research.unipd.it/handle/11577/3391050.
    10.1016/j.apsusc.2021.149307
  8. Iulia Cojocariu; Silvia Carlotto; Giovanni Zamborlini; Matteo Jugovac; Luca Schio; Luca Floreano; Maurizio Casarin; Vitaliy Feyer; Claus Michael Schneider. "Reversible redox reactions in metal-supported porphyrin: the role of spin and oxidation state". Journal of Materials Chemistry C (2021): https://doi.org/10.1039/D1TC02222A.
    10.1039/D1TC02222A
  9. Silvia Carlotto; Girolamo Casella; Mauro Sambi; Maurizio Casarin. "cis-[(¿5-C5H5)Fe(¿1-CO)(µ-CO)]2, the poor relative between cis and trans tautomers. A theoretical study of the gas-phase Fe L3-edge and C and O K-edge XAS of trans-/cis-[(¿5-C5H5)Fe(¿1-CO)(µ-CO)]2". Physical Chemistry Chemical Physics (2021): https://doi.org/10.1039/D1CP04105C.
    10.1039/D1CP04105C
  10. Silvia Carlotto; Mauro Sambi; Francesco Sedona; Andrea Vittadini; Maurizio Casarin. "A Theoretical Study of the Occupied and Unoccupied Electronic Structure of High- and Intermediate-Spin Transition Metal Phthalocyaninato (Pc) Complexes: VPc, CrPc, MnPc, and FePc". Nanomaterials 11 1 (2020): 54-54. https://doi.org/10.3390/nano11010054.
    10.3390/nano11010054
  11. Silvia Carlotto; Girolamo Casella; Luca Floreano; Alberto Verdini; Ana P.C. Ribeiro; Luísa M.D.R.S. Martins; Maurizio Casarin. "Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study". Catalysis Today 358 (2020): 403-411. https://doi.org/10.1016/j.cattod.2019.08.010.
    10.1016/j.cattod.2019.08.010
  12. P. Machaín; J. D. Fuhr; S. Schneider; S. Carlotto; M. Casarin; A. Cossaro; A. Verdini; et al. "Mn–Cu Transmetalation as a Strategy for the Assembly of Decoupled Metal–Organic Networks on Sn/Cu(001) Surface Alloys". The Journal of Physical Chemistry C 124 35 (2020): 18993-19002. https://doi.org/10.1021/acs.jpcc.0c03395.
    10.1021/acs.jpcc.0c03395
  13. Alice Carlotto; Luca Babetto; Silvia Carlotto; Massimo Miozzi; Roberta Seraglia; Maurizio Casarin; Gregorio Bottaro; Marzio Rancan; Lidia Armelao. "Luminescent Thermometers: From a Library of Europium(III) ß-Diketonates to a General Model for Predicting the Thermometric Behaviour of Europium-Based Coordination Systems". ChemPhotoChem (2020): https://doi.org/10.1002/cptc.202000201.
    10.1002/cptc.202000201
  14. Alice Carlotto; Luca Babetto; Silvia Carlotto; Massimo Miozzi; Roberta Seraglia; Maurizio Casarin; Gregorio Bottaro; Marzio Rancan; Lidia Armelao. "Luminescent Thermometers: From a Library of Europium(III) ß-Diketonates to a General Model for Predicting the Thermometric Behaviour of Europium-Based Coordination Systems". ChemPhotoChem (2020): https://doi.org/10.1002/cptc.202000202.
    10.1002/cptc.202000202
  15. Alice Carlotto; Luca Babetto; Silvia Carlotto; Massimo Miozzi; Roberta Seraglia; Maurizio Casarin; Gregorio Bottaro; Marzio Rancan; Lidia Armelao. "Luminescent Thermometers: From a Library of Europium(III) ß-Diketonates to a General Model for Predicting the Thermometric Behaviour of Europium-Based Coordination Systems". ChemPhotoChem (2020): https://doi.org/10.1002/cptc.202000116.
    10.1002/cptc.202000116
  16. Silvia Carlotto. "The role of the dopant and structural defects on the water absorption and on the H2 formation in the Al, Co and Cu doped SrTiO3 perovskite steps". APPLIED SURFACE SCIENCE 527 (2020): https://www.research.unipd.it/handle/11577/3348598.
    10.1016/j.apsusc.2020.146850
  17. Silvia Carlotto; ANTONELLA GLISENTI; Vittadini, A.; MAURIZIO CASARIN. "Adsorption and reactivity of CO at a stepped SrTiO3(1 0 0) surface in the presence of Cu impurities". APPLIED SURFACE SCIENCE 521 (2020): https://www.research.unipd.it/handle/11577/3348701.
    10.1016/j.apsusc.2020.146450
  18. Silvia Carlotto; Vittadini, A; MAURIZIO CASARIN. "DFT modelling of the CO-NO redox reaction at Cu-doped SrTiO3(1 0 0) stepped surface: CO oxidation at lattice O ions". INORGANICA CHIMICA ACTA 511 (2020): https://www.research.unipd.it/handle/11577/3348702.
    10.1016/j.ica.2020.119810
  19. Casella, G.; Silvia Carlotto; MIRTO MOZZON; Paolo Sgarbossa; Roberta Bertani; MAURIZIO CASARIN. "A DFT mechanistic study of the synthesis of trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl from addition of NH3 to trans-[PtIICl2(N[tbnd]CMe)2]". INORGANICA CHIMICA ACTA 511 (2020): https://www.research.unipd.it/handle/11577/3348704.
    10.1016/j.ica.2020.119847
  20. Silvia Carlotto; Vittadini, A.; MAURIZIO CASARIN. "DFT modelling of the NO reduction process at the Cu-doped SrTiO3(1 0 0) stepped surface". INORGANICA CHIMICA ACTA 511 (2020): https://www.research.unipd.it/handle/11577/3348703.
    10.1016/j.ica.2020.119813
  21. Luca Babetto; Silvia Carlotto; Alice Carlotto; Marzio Rancan; Gregorio Bottaro; Lidia Armelao; Maurizio Casarin. "Antenna triplet DFT calculations to drive the design of luminescent Ln3+ complexes". Dalton Transactions (2020): https://doi.org/10.1039/D0DT02624G.
    10.1039/D0DT02624G
  22. Francesco Sedona; Mir Masoud Seyyed Fakhrabadi; Silvia Carlotto; Elaheh Mohebbi; Francesco De Boni; Stefano Casalini; Maurizio Casarin; Mauro Sambi. "On-surface synthesis of extended linear graphyne molecular wires by protecting the alkynyl group". Physical Chemistry Chemical Physics (2020): https://doi.org/10.1039/D0CP01634A.
    10.1039/D0CP01634A
  23. Silvia Carlotto; Paola Finetti; Monica de Simone; Marcello Coreno; Girolamo Casella; Mauro Sambi; Maurizio 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], [(¿5-C5H5)Fe(CO)(µ-CO)]2, and [(¿5-C5H5)2Fe]". Inorganic Chemistry 58 24 (2019): 16411-16423. https://doi.org/10.1021/acs.inorgchem.9b02107.
    10.1021/acs.inorgchem.9b02107
  24. Casella, G.; Guerra, C.F.; Carlotto, S.; Sgarbossa, P.; Bertani, R.; Casarin, M.. "Correction: New light on an old debate: Does the RCN-PtCl2 bond include any back-donation? RCN ¿ PtCl2 backbonding: Vs. the IR ¿ CN blue-shift dichotomy in organonitriles-platinum(ii) complexes. A thorough density functional theory-energy decomposition analysis study (Dalton Transactions (2019) DOI: 10.1039/c9dt02440a)". Dalton Transactions 48 35 (2019): 13491-13492. http://www.scopus.com/inward/record.url?eid=2-s2.0-85071998401&partnerID=MN8TOARS.
    10.1039/c9dt90189b
  25. Carlotto, S.; Finetti, P.; De Simone, M.; Coreno, M.; Casella, G.; Sambi, M.; Casarin, M.. "Comparative Experimental and Theoretical Study of the Fe L 2,3 -Edges X-ray Absorption Spectroscopy in Three Highly Popular, Low-Spin Organoiron Complexes: [Fe(CO) 5 ], [(¿ 5 -C 5 H 5 )Fe(CO)(µ-CO)] 2 , and [(¿ 5 -C 5 H 5 ) 2 Fe]". Inorganic Chemistry 58 9 (2019): 5844-5857. http://www.scopus.com/inward/record.url?eid=2-s2.0-85065103320&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.9b00226
  26. Silvia Carlotto; Arkadiusz Bonna; Karolina Bossak-Ahmad; Wojciech Bal; Marina Porchia; Maurizio Casarin; Francesco Tisato. "Coordinative unsaturated CuI entities are crucial intermediates governing cell internalization of copper. A combined experimental ESI-MS and DFT study". Metallomics (2019): https://doi.org/10.1039/C9MT00236G.
    10.1039/C9MT00236G
  27. Girolamo Casella; Célia Fonseca Guerra; Silvia Carlotto; Paolo Sgarbossa; Roberta Bertani; Maurizio Casarin. "New light on an old debate: does the RCN–PtCl2 bond include any back-donation? RCN¿PtCl2 backbonding vs. the IR ¿C¿N blue-shift dichotomy in organonitriles–platinum(ii) complexes. A thorough density functional theory – energy decomposition analysis study". Dalton Transactions 48 34 (2019): 12974-12985. https://doi.org/10.1039/C9DT02440A.
    10.1039/C9DT02440A
  28. Silvia Carlotto; Elaheh Mohebbi; Francesco Sedona; Matteo Lo Cicero; Luciano Colazzo; Carlo Mariani; Maria Grazia Betti; Mauro Sambi; Maurizio Casarin. "An experimental and theoretical study of metallorganic coordination networks of tetrahydroxyquinone on Cu(111)". New Journal of Chemistry (2019): https://doi.org/10.1039/C9NJ04884G.
    10.1039/C9NJ04884G
  29. Marta M. Natile; Silvia Carlotto; Gianmaria Bizzotto; Andrea Vittadini; Antonella Glisenti. "Small Copper Clusters Supported on SrTiO 3 : An Experimental and Theoretical Study". European Journal of Inorganic Chemistry 2018 34 (2018): 3829-3834. https://doi.org/10.1002/ejic.201800502.
    10.1002/ejic.201800502
  30. Silvia Carlotto. "Transition metail systems: a theoretical modeling of their L2,3-edge X-ray absorption spectra". JOURNAL OF PHYSICAL CHEMISTRY & BIOPHYSICS 8 (2018): 85-85. https://www.research.unipd.it/handle/11577/3348625.
    10.4172/2161-0398-C3-034
  31. Carlotto, Silvia; Pandolfo, Luciano; Casarin, Maurizio. "Trinuclear Cu(II) complexes from the classic [Cu-2(RCOO)(4)(H2O)(2)] lantern complex and pyrazole: a DFT modelling of the reaction path". Inorganica Chimica Acta 470 (2018): 93-99. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000416060300010&KeyUID=WOS:000416060300010.
    10.1016/j.ica.2017.04.019
  32. Sedona, F.; Lo Cicero, M.; Carlotto, S.; Basagni, A.; Fakhrabadi, M.M.S.; Casarin, M.; Sambi, M.. "Substrate involvement in dioxygen bond dissociation catalysed by iron phthalocyanine supported on Ag(100)". Chemical Communications 54 68 (2018): 9418-9421. http://www.scopus.com/inward/record.url?eid=2-s2.0-85051978763&partnerID=MN8TOARS.
    10.1039/c8cc04362k
  33. Carlotto, S.; Natile, M.M.; Glisenti, A.; Vittadini, A.. "Catalytic Mechanisms of NO Reduction in a CO-NO Atmosphere at Co- and Cu-Doped SrTiO3(100) Surfaces". Journal of Physical Chemistry C 122 1 (2018): 449-454. http://www.scopus.com/inward/record.url?eid=2-s2.0-85040515532&partnerID=MN8TOARS.
    10.1021/acs.jpcc.7b09279
  34. Casarin, M.; Carlotto, S.. "“Pigments of Life”, Molecules Well Suited to Investigate Metal–Ligand Symmetry-Restricted Covalency". European Journal of Inorganic Chemistry 2018 27 (2018): 3145-3155. http://www.scopus.com/inward/record.url?eid=2-s2.0-85050382208&partnerID=MN8TOARS.
    10.1002/ejic.201800480
  35. Carlotto, S.; Sambi, M.; Rancan, M.; Casarin, M.. "Theoretical Investigation of the Electronic Properties of Three Vanadium Phthalocyaninato (Pc) Based Complexes: PcV, PcVO, and PcVI". Inorganic Chemistry 57 4 (2018): 1859-1869. http://www.scopus.com/inward/record.url?eid=2-s2.0-85042183713&partnerID=MN8TOARS.
    10.1021/acs.inorgchem.7b02788
  36. Carlotto, S.; Floreano, L.; Cossaro, A.; Dominguez, M.; Rancan, M.; Sambi, M.; Casarin, M.. "The electronic properties of three popular high spin complexes [TM(acac)(3), TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study". Physical Chemistry Chemical Physics 19 36 (2017): 24840-24854. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000411606200045&KeyUID=WOS:000411606200045.
    10.1039/c7cp04461e
  37. Carlotto, Silvia; Sambi, Mauro; Vittadini, Andrea; Casarin, Maurizio. "Mn(acac)(2) and Mn(acac)(3) complexes, a theoretical modeling of their L-2,L-3-edges X-ray absorption spectra". Polyhedron 135 (2017): 216-223. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000411171000025&KeyUID=WOS:000411171000025.
    10.1016/j.poly.2017.07.007
  38. Mangione, Giulia; Carlotto, Silvia; Sambi, Mauro; Ligorio, Giovanni; Timpel, Melanie; Vittadini, Andrea; Nardi, Marco Vittorio; Casarin, Maurizio. "Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I". Physical Chemistry Chemical Physics 18 28 (2016): 18727-18738. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000379939100012&KeyUID=WOS:000379939100012.
    10.1039/c6cp01423b
  39. Mangione, Giulia; Sambi, Mauro; Carlotto, Silvia; Vittadini, Andrea; Ligorio, Giovanni; Timpel, Melanie; Pasquali, Luca; et al. "Electronic structure of CuTPP and CuTPP(F) complexes: a combined experimental and theoretical study II". Physical Chemistry Chemical Physics 18 36 (2016): 24890-24904. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000384249300014&KeyUID=WOS:000384249300014.
    10.1039/c6cp03956a
  40. Carlotto, Silvia; Natile, Marta M.; Glisenti, Antonella; Vittadini, Andrea. "Adsorption of CO and formation of carbonates at steps of pure and Codoped SrTiO3 surfaces by DFT calculations". Applied Surface Science 364 (2016): 522-527. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000369957800067&KeyUID=WOS:000369957800067.
    10.1016/j.apsusc.2015.12.194
  41. Carlotto, Silvia; Sambi, Mauro; Vittadini, Andrea; Casarin, Maurizio. "Theoretical modeling of the L-2,L-3-edge X-ray absorption spectra of Mn(acac)(2) and Co(acac)(2) complexes". Physical Chemistry Chemical Physics 18 3 (2016): 2242-2249. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000369482100097&KeyUID=WOS:000369482100097.
    10.1039/c5cp06844d
  42. Carlotto, S.; Sambi, M.; Sedona, F.; Vittadini, A.; Bartolome, J.; Bartolome, F.; Casarin, M.. "L-2,L-3-edges absorption spectra of a 2D complex system: a theoretical modelling". Physical Chemistry Chemical Physics 18 40 (2016): 28110-28116. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000385180600045&KeyUID=WOS:000385180600045.
    10.1039/c6cp04787d
  43. Carlotto, Silvia; Natile, Marta Maria; Glisenti, Antonella; Paul, Jean-Francois; Blanck, Dimitri; Vittadini, Andrea. "Energetics of CO oxidation on lanthanide-free perovskite systems: the case of Co-doped SrTiO3". Physical Chemistry Chemical Physics 18 48 (2016): 33282-33286. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000390435800074&KeyUID=WOS:000390435800074.
    10.1039/c6cp03994d
  44. Carlotto, Silvia; Natile, Marta Maria; Glisenti, Antonella; Vittadini, Andrea. "Adsorption of small molecules at the cobalt-doped SrTiO3(001) surface: A first-principles investigation". Surface Science 633 (2015): 68-76. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000348336000010&KeyUID=WOS:000348336000010.
    10.1016/j.susc.2014.11.025
  45. Carlotto, Silvia; Casarin, Maurizio; Lanza, Arianna; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Scatena, Rebecca. "Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction". Crystal Growth & Design 15 12 (2015): 5910-5918. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000365930300034&KeyUID=WOS:000365930300034.
    10.1021/acs.cgd.5b01365
  46. Silvia Carlotto. "Book of Abstract of the 1st Italian Grid Training Workshop of the Italian Grid Infrastructure (IGI)". VIRT&L-COMM (2014): https://www.research.unipd.it/handle/11577/3348623.
  47. Carlotto, Silvia. "Theoretical Investigation of the Open Circuit Voltage: P3HT/9,9 '-Bisfluorenylidene Derivative Devices". Journal of Physical Chemistry a 118 26 (2014): 4808-4815. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000338692800022&KeyUID=WOS:000338692800022.
    10.1021/jp503040n
  48. Carlotto, Silvia; Zerbetto, Mirco. "Computational Study of Environmental Effects on Torsional Free Energy Surface of N-Acetyl-N '-methyl-L-alanylamide Dipeptide". Journal of Chemical Education 91 1 (2014): 96-102. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000330162000019&KeyUID=WOS:000330162000019.
    10.1021/ed400346v
  49. Glisenti, A.; Natile, M. M.; Carlotto, S.; Vittadini, A.. "Co- and Cu-Doped Titanates: Toward a New Generation of Catalytic Converters". Catalysis Letters 144 8 (2014): 1466-1471. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000339938000015&KeyUID=WOS:000339938000015.
    10.1007/s10562-014-1294-5
  50. Carlotto, Silvia; Natile, Marta Maria; Glisenti, Antonella; Vittadini, Andrea. "Electronic structure of SrTi1-xMxO3-delta (M = Co, Ni, Cu) perovskite-type doped-titanate crystals by DFT and DFT plus U calculations". Chemical Physics Letters 588 (2013): 102-108. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000326870500019&KeyUID=WOS:000326870500019.
    10.1016/j.cplett.2013.10.020
  51. Carlotto, Silvia; Orian, Laura; Polimeno, Antonino. "Heuristic approaches to the optimization of acceptor systems in bulk heterojunction cells: a computational study". Theoretical Chemistry Accounts 131 3 (2012): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000302295600035&KeyUID=WOS:000302295600035.
    10.1007/s00214-012-1191-1
  52. Orian, Laura; Carlotto, Silvia; Di Valentin, Marilena; Polimeno, Antonino. "Charge Transfer in Model Bioinspired Carotene-Porphyrin Dyads". Journal of Physical Chemistry a 116 15 (2012): 3926-3933. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000302924600016&KeyUID=WOS:000302924600016.
    10.1021/jp212434t
  53. Todescato, F.; Fortunati, I.; Carlotto, S.; Ferrante, C.; Grisanti, L.; Sissa, C.; Painelli, A.; et al. "Dimers of polar chromophores in solution: role of excitonic interactions in one- and two-photon absorption properties". Physical Chemistry Chemical Physics 13 23 (2011): 11099-11109. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000291113200025&KeyUID=WOS:000291113200025.
    10.1039/c0cp02736g
  54. Carlotto, Silvia; Fortunati, Ilaria; Ferrante, Camilla; Schwille, Petra; Polimeno, Antonino. "Time correlated fluorescence characterization of an asymmetrically focused flow in a microfluidic device". Microfluidics and Nanofluidics 10 3 (2011): 551-561. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000287524200006&KeyUID=WOS:000287524200006.
    10.1007/s10404-010-0689-x
  55. Fortunati, Ilaria; Rossetto, Nicola; Signorini, Raffaella; Ferrante, Camilla; Carlotto, Silvia; Polimeno, Antonino. "Strategy for the improvement of mixing in microdevices". Houille Blanche-Revue Internationale De L Eau 4 (2011): 79-85. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000295863800013&KeyUID=WOS:000295863800013.
    10.1051/lhb/2011044
  56. Collini, E.; Carlotto, S.; Ferrante, C.; Bozio, R.; Polimeno, A.; Bloino, J.; Barone, V.; et al. "Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region". Physical Chemistry Chemical Physics 13 25 (2011): 12087-12094. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000291656900034&KeyUID=WOS:000291656900034.
    10.1039/c1cp20945k
  57. Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino. "In Silico Interpretation of cw-ESR at 9 and 95 GHz of Mono- and bis- TOAC-Labeled Aib-Homopeptides in Fluid and Frozen Acetonitrile". Journal of Physical Chemistry B 115 44 (2011): 13026-13036. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000296394100041&KeyUID=WOS:000296394100041.
    10.1021/jp2063645
  58. Carlotto, Silvia; Polimeno, Antonino. "Time-Evolution Equations for Particle Dispersions in Nematic Liquid Crystal Media". Molecular Crystals and Liquid Crystals 516 (2010): 167-173. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000275025300022&KeyUID=WOS:000275025300022.
    10.1080/15421400903408582
  59. Carlotto, Silvia; Ferrante, Camilla; Polimeno, Antonino; Benzi, Caterina; Barone, Vincenzo. "Interpretation of the Emission Fluorescence Spectra of Two Fluoroionophores: DMABN-Crown4 and DMABN-Crown5". International Journal of Quantum Chemistry 110 2 (2010): 368-375. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000272601400012&KeyUID=WOS:000272601400012.
    10.1002/qua.22245
  60. Carlotto, Silvia; Polimeno, Antonino. "Evaluation of translational friction coefficients of macroscopic probes in nematic liquid crystals". Journal of Chemical Physics 128 15 (2008): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000255228900052&KeyUID=WOS:000255228900052.
    10.1063/1.2897992
  61. Carlotto, Silvia; Ricco, Raffaele; Ferrante, Camilla; Maggini, Michele; Polimeno, Antonino; Benzi, Caterina; Barone, Vincenzo. "An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments". Chemical Physics Letters 467 1-3 (2008): 204-209. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000261407000043&KeyUID=WOS:000261407000043.
    10.1016/j.cplett.2008.11.011
  62. Carlotto, Silvia; Polimeno, Antonino; Ferrante, Camilla; Benzi, Caterina; Barone, Vincenzo. "Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments". Journal of Physical Chemistry B 112 27 (2008): 8106-8113. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000257335200019&KeyUID=WOS:000257335200019.
    10.1021/jp076676z
  63. Polimeno, Antonino; Carlotto, Silvia. "Evaluation of translational friction coefficients of micro-sized spherical probes in nematic liquid crystals". Theoretical Chemistry Accounts 120 4-6 (2008): 591-597. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000256765900031&KeyUID=WOS:000256765900031.
    10.1007/s00214-007-0406-3
  64. Carlotto, Silvia; Cimino, Paola; Zerbetto, Mirco; Franco, Lorenzo; Corvaja, Carlo; Crisma, Marco; Formaggio, Fernando; et al. "Unraveling solvent-driven equilibria between alpha- and 3(10)-helices through an integrated spin Labeling and computational approach". Journal of the American Chemical Society 129 36 (2007): 11248-11258. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000249372400061&KeyUID=WOS:000249372400061.
    10.1021/ja073516s
  65. Zerbetto, Mirco; Carlotto, Silvia; Polimeno, Antonino; Corvaja, Carlo; Franco, Lorenzo; Toniolo, Claudio; Formaggio, Fernando; Barone, Vincenzo; Cimino, Paola. "Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)(2)-Aib-OMe in acetonitrile". Journal of Physical Chemistry B 111 10 (2007): 2668-2674. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000244735300034&KeyUID=WOS:000244735300034.
    10.1021/jp066908e
Activities

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2018/10/01 - 2021/09/30 THEORETICAL INVESTIGATION OF TEMPERATURE-DEPENDENT EMISSION PARAMETERS IN LANTHANIDE-BASED LUMINESCENT MOLECULAR THERMOMETERS
Co-supervisor of Luca Babetto
 THEORETICAL INVESTIGATION OF TEMPERATURE-DEPENDENT EMISSION PARAMETERS IN LANTHANIDE-BASED LUMINESCENT MOLECULAR THERMOMETERS (PhD)
Università degli Studi di Padova Dipartimento di Scienze Chimiche, Italy