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List of works by Silvia Carlotto

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Unraveling solvent-driven equilibria between alpha- and 3(10)-helices through an integrated spin labeling and computational approach

scientific article published on 18 August 2007
Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in acetonitrile.

scientific article published on 21 February 2007
Dimers of polar chromophores in solution: role of excitonic interactions in one- and two-photon absorption properties

scientific article
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region.

scientific article published on 31 May 2011
The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study.

scientific article published on 4 September 2017
Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I.

scientific article
Energetics of CO oxidation on lanthanide-free perovskite systems: the case of Co-doped SrTiO3.

scientific article published on 29 November 2016
L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling.

scientific article published in October 2016
In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile

scientific article published on 14 October 2011
Electronic structure of CuTPP and CuTPP(F) complexes: a combined experimental and theoretical study II.

scientific article published on 14 July 2016
Evaluation of translational friction coefficients of macroscopic probes in nematic liquid crystals.

scientific article published in April 2008
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]

scientific article published on 18 April 2019
Theoretical modeling of the L2,3-edge X-ray absorption spectra of Mn(acac)2 and Co(acac)2 complexes

scientific article published on 22 December 2015
Reaction of Copper(II) Chloroacetate with Pyrazole. Synthesis of a One-Dimensional Coordination Polymer and Unexpected Dehydrochlorination Reaction

An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments

An experimental and theoretical study of metallorganic coordination networks of tetrahydroxyquinone on Cu(111)

scientific article published in 2019
Charge transfer in model bioinspired carotene-porphyrin dyads

scientific article published on 05 April 2012
Correction: New light on an old debate: does the RCN-PtCl2 bond include any back-donation? RCN ← PtCl2 backbonding vs. the IR νC[triple bond, length as m-dash]N blue-shift dichotomy in organonitriles-platinum(ii) complexes. A thorough density functi

scientific article published on 27 August 2019
Multireference Ab Initio Investigation on Ground and Low-Lying Excited States: Systematic Evaluation of J-J Mixing in a Eu³⁺ Luminescent Complex

scientific article published on 15 December 2020
Theoretical Investigation of the Open Circuit Voltage: P3HT/9,9′-Bisfluorenylidene Derivative Devices

scientific article published on June 18, 2014
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]

scientific article published on 22 November 2019
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

scientific article published on 28 December 2020
Substrate involvement in dioxygen bond dissociation catalysed by iron phthalocyanine supported on Ag(100)

scientific article published on 01 August 2018
Antenna triplet DFT calculations to drive the design of luminescent Ln3+ complexes

scientific article published on 01 October 2020
Coordinative unsaturated CuI entities are crucial intermediates governing cell internalization of copper. A combined experimental ESI-MS and DFT study

scientific article published on 28 October 2019
On-surface synthesis of extended linear graphyne molecular wires by protecting the alkynyl group

scientific article published on 19 May 2020
New light on an old debate: does the RCN-PtCl2 bond include any back-donation? RCN←PtCl2 backbonding vs. the IR νC[triple bond, length as m-dash]N blue-shift dichotomy in organonitriles-platinum(ii) complexes. A thorough density functional theory -

scientific article published on 09 August 2019

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