Zobrazeno 1 - 10 of 90 pro vyhledávání: '"MONICA DE SIMONE"'
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Akademický článek
A sub-100 nm thickness flat jet for extreme ultraviolet to soft X-ray absorption spectroscopy
Autor: Dario De Angelis, Luca Longetti, Gabriele Bonano, Jacopo Stefano Pelli Cresi, Laura Foglia, Matteo Pancaldi, Flavio Capotondi, Emanuele Pedersoli, Filippo Bencivenga, Marija Krstulovic, Ralf Hendrik Menk, Sergio D'Addato, Stefano Orlando, Monica de Simone, Rebecca A. Ingle, Davide Bleiner, Marcello Coreno, Emiliano Principi, Majed Chergui, Claudio Masciovecchio, Riccardo Mincigrucci
Publikováno v: Journal of Synchrotron Radiation, Vol 31, Iss 3, Pp 605-612 (2024)
Experimental characterization of the structural, electronic and dynamic properties of dilute systems in aqueous solvents, such as nanoparticles, molecules and proteins, are nowadays an open challenge. X-ray absorption spectroscopy (XAS) is probably o
Externí odkaz: https://doaj.org/article/0602df5ce26e46839e71ef0f1abf669d
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4
The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations
Autor: Monica De simone, Nykola C. Jones, Cesare Grazioli, Michael Palmer, Marcello Coreno, Dheirya Sonecha, Søren Vrønning Hoffmann, Alan Aitken
Publikováno v: Palmer, M H, Coreno, M, De Simone, M, Grazioli, C, Jones, N C, Hoffmann, S V, Aitken, R A & Sonecha, D K 2023, ' The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations ', The Journal of Chemical Physics, vol. 158, no. 1, 014304 . https://doi.org/10.1063/5.0128764
A synchrotron-based photoionization spectrum up to 27 eV represents a considerable improvement in resolution over early He(I) and He(II) spectra. Symmetry-adapted coupled cluster calculations of the ionic state sequence give the sequence of state ver
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2462a324896e9de1d37a95dbb87593b
https://pubmed.ncbi.nlm.nih.gov/36610975
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5
Study of the Electronic Structure of M2(CH2CMe3)6 (M = Mo, W) by Photoelectron Spectroscopy and Density Functional Theory
Autor: Monica de Simone, Marcello Coreno, Roberta Totani, Nicolas E. Capra, Louis Messerle, Jennifer C. Green, Alfred P. Sattelberger
Publikováno v: Organometallics 41 (2021): 29–40. doi:10.1021/acs.organomet.1c00586
info:cnr-pdr/source/autori:de Simone, Monica; Coreno, Marcello; Totani, Roberta; Capra, Nicolas E.; Messerle, Louis; Green, Jennifer C.; Sattelberger, Alfred P./titolo:Study of the Electronic Structure of M-2(CH2CMe3)(6) (M = Mo, W) by Photoelectron Spectroscopy and Density Functional Theory/doi:10.1021%2Facs.organomet.1c00586/rivista:Organometallics/anno:2021/pagina_da:29/pagina_a:40/intervallo_pagine:29–40/volume:41
The valence electronic structures of two dinuclear alkyl compounds containing sigma(2)pi(4) triple bonds between group 6 metals, viz., M-2(CH2CMe3)(6) (M = Mo, W), have been investigated using a combination of molecular orbital theory and variable ph
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::683a18713340f082e22a1b9467bbc237
https://doi.org/10.1021/acs.organomet.1c00586
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6
Appartenenza e alterità: sull’idea di cittadinanza nell’esperienza giuridica romana
Autor: Monica De Simone
The paper discusses a plethora of ideas regarding the concept of Roman citizenship, which is addressed in the light of a theory of fellowship (meaning ‘to be part of a given community’) and a theory of otherness (meaning ‘a relationship with so
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3658::8078268ba78edd141a8d099bb01e0929
http://hdl.handle.net/10447/550362
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The ionized states of 6,6-dimethylfulvene; the vibrational energy levels studied by photoionization, configuration interaction and density functional calculations
Autor: Michael H. Palmer, Marcello Coreno, Monica de Simone, Cesare Grazioli, Nykola C. Jones, Søren Vrønning Hoffmann, R. Alan Aitken
Publikováno v: Palmer, M H, Coreno, M, De Simone, M, Grazioli, C, Jones, N C, Hoffmann, S V & Aitken, R A 2022, ' The ionized states of 6,6-dimethylfulvene; the vibrational energy levels studied by photoionization, configuration interaction and density functional calculations ', Chemical Physics Letters, vol. 796, 139558 . https://doi.org/10.1016/j.cplett.2022.139558
A new synchrotron-based photoionization spectrum of 6,6-dimethylfulvene shows significant vibrational fine structure (VFS), in contrast to previous studies; this was successfully analysed by Franck-Condon (FC) methods. The sequence of ionic states in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a247bd95be3ed1385fca5748ea63054
https://pure.au.dk/portal/da/publications/the-ionized-states-of-66dimethylfulvene-the-vibrational-energy-levels-studied-by-photoionization-configuration-interaction-and-density-functional-calculations(613bc165-b2e4-4a4f-aad9-fa002a899f67).html
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9
m-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions
Autor: Teng Zhang, Cesare Grazioli, Ambra Guarnaccio, Iulia Emilia Brumboiu, Valeria Lanzilotto, Fredrik O. L. Johansson, Klára Beranová, Marcello Coreno, Monica de Simone, Barbara Brena, Carla Puglia
Publikováno v: Journal of physical chemistry. C 126 (2021). doi:10.1021/acs.jpcc.1c09574
info:cnr-pdr/source/autori:Zhang T.; Grazioli C.; Guarnaccio A.; Brumboiu I.E.; Lanzilotto V.; Johansson F.O.L.; Beranova K.; Coreno M.; De Simone M.; Brena B.; Puglia C./titolo:M-MTDATA on Au(111): Spectroscopic Evidence of Molecule-Substrate Interactions/doi:10.1021%2Facs.jpcc.1c09574/rivista:Journal of physical chemistry. C/anno:2021/pagina_da:/pagina_a:/intervallo_pagine:/volume:126
The starburst p-conjugated molecule based on triphenylamine (TPA) building blocks, 4,4?,4?-tris(N-3-ethylphenyl-N-phenylamino)triphenylamine (C57H48N4, m-MTDATA), is widely used in optoelectronic devices due to its electron-donating properties. The e
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80ef1441585571eac7ce136e525db1f2
https://pubs.acs.org/doi/10.1021/acs.jpcc.1c09574
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10
Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap
Autor: Teng Zhang, Pamela H. W. Svensson, Iulia Emilia Brumboiu, Valeria Lanzilotto, Cesare Grazioli, Ambra Guarnaccio, Fredrik O. L. Johansson, Klára Beranová, Marcello Coreno, Monica de Simone, Luca Floreano, Albano Cossaro, Barbara Brena, Carla Puglia
Publikováno v: Journal of physical chemistry. C 126 (2022): 1635–1643. doi:10.1021/acs.jpcc.1c08877
info:cnr-pdr/source/autori:Zhang T.; Svensson P.H.W.; Brumboiu I.E.; Lanzilotto V.; Grazioli C.; Guarnaccio A.; Johansson F.O.L.; Beranova K.; Coreno M.; de Simone M.; Floreano L.; Cossaro A.; Brena B.; Puglia C./titolo:Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap/doi:10.1021%2Facs.jpcc.1c08877/rivista:Journal of physical chemistry. C/anno:2022/pagina_da:1635/pagina_a:1643/intervallo_pagine:1635–1643/volume:126
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
In this article, we analyze the electronic structure modifications of triphenylamine (TPA), a well-known electron donor molecule widely used in photovoltaics and optoelectronics, upon deposition on Au(111) at a monolayer coverage. A detailed study wa
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9418e52bb39b94e59ae287932238fb9f
http://www.cnr.it/prodotto/i/464883
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