Publications by authors named "Monica De Simone"

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The singlet excited states of fulvene and of its 6,6-dimethyl derivative: A combined study of their energy levels by absorption spectroscopy, configuration interaction, and density functional calculations.
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· July 2025

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Extending Resonant Inelastic X-ray Scattering to Extreme Ultraviolet.
Samuel Menzi, Fabio La Mattina, Francesco Barbato, Yunieski Arbelo Pena, Sven Augustin, Monica De Simone

Chimia (Aarau)· February 2025

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The low-lying electronic states of 4H-pyran-4-thione; a photoionization and vacuum ultraviolet absorption study, with interpretation by configuration interaction and density functional calculations for the ionic and singlet states.
Michael H Palmer, Antti Kivimäki, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· January 2025

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Hanle Effect for Lifetime Determinations in the Soft X-Ray Regime.
Moto Togawa, Jan Richter, Chintan Shah, Marc Botz, Joshua Nenninger, Monica de Simone

Phys Rev Lett· October 2024

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Deconvolution of the X-ray absorption spectrum of -1,3-butadiene with resonant Auger spectroscopy.
David M P Holland, Jiří Suchan, Jiří Janoš, Camila Bacellar, Ludmila Leroy, Monica de Simone

Phys Chem Chem Phys· May 2024

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A sub-100 nm thickness flat jet for extreme ultraviolet to soft X-ray absorption spectroscopy.
Dario De Angelis, Luca Longetti, Gabriele Bonano, Jacopo Stefano Pelli Cresi, Laura Foglia, Monica de Simone

J Synchrotron Radiat· May 2024

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The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations.
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· February 2024

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Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy.
Sarai Dery Folkestad, Alexander C Paul, Aurora Ponzi, Cesare Grazioli, Marcello Coreno, Monica de Simone

J Phys Chem A· December 2023

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High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations.
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· June 2023

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Adsorption and Dissociation of -Methyl -Tolyl Sulfoxide on Au(111).
Mauro Satta, Nicola Zema, Stefano Turchini, Stefano Franchi, Giorgio Contini, Monica de Simone

ACS Omega· May 2023

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Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene.
Eva Muchova, Daniel Hollas, David M P Holland, Camila Bacellar, Ludmila Leroy, Monica de Simone

Phys Chem Chem Phys· March 2023

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The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations.
Michael H Palmer, Marcello Coreno, Monica de Simone, Cesare Grazioli, Nykola C Jones

J Chem Phys· January 2023

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The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states.
Michael H Palmer, Nykola C Jones, Søren Vrønning Hoffmann, R Alan Aitken, Marcello Coreno, Monica de Simone

J Chem Phys· October 2022

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Evidence of hybridization states at the donor/acceptor interface: case of-MTDATA/PPT.
Teng Zhang, Tingting Wang, Cesare Grazioli, Ambra Guarnaccio, Iulia Emilia Brumboiu, Monica de Simone

J Phys Condens Matter· March 2022

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The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations.
Michael H Palmer, Marcello Coreno, Monica de Simone, Cesare Grazioli, Nykola C Jones

J Chem Phys· February 2022

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Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap.
Teng Zhang, Pamela H W Svensson, Iulia Emilia Brumboiu, Valeria Lanzilotto, Cesare Grazioli, Monica de Simone

J Phys Chem C Nanomater Interfaces· January 2022

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The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations.
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· July 2021

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High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations.
Michael H Palmer, Marcello Coreno, Monica de Simone, Cesare Grazioli, R Alan Aitken

J Chem Phys· November 2020

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The Infinity-Lock System for Chronic Grade III AC Joint Dislocation: A Novel Technique, Rehabilitation Protocol and Short Term Results.
Alfonso Maria Romano, Pasquale Casillo, Monica De Simone, Guglielmo Nastrucci, Donatella Risorto

J Clin Med· August 2020

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The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods.
Michael H Palmer, Søren Vrønning Hoffmann, Nykola C Jones, Marcello Coreno, Monica de Simone

J Chem Phys· August 2020

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The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New H and C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods.
Michael H Palmer, R Alan Aitken, Marcello Coreno, Monica de Simone, Cesare Grazioli

J Chem Phys· April 2020

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Interplay among work function, electronic structure and stoichiometry in nanostructured VO films.
Alessandro D'Elia, Cinzia Cepek, Monica de Simone, Salvatore Macis, BlaŽ Belec

Phys Chem Chem Phys· March 2020

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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)], [(η-CH)Fe(CO)(μ-CO)], and [(η-CH)Fe].
Silvia Carlotto, Paola Finetti, Monica de Simone, Marcello Coreno, Girolamo Casella

Inorg Chem· December 2019

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Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study.
Daniele Toffoli, Aurora Ponzi, Elisa Bernes, Monica de Simone, Cesare Grazioli

J Chem Phys· October 2019

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Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine.
Marco Mendolicchio, Alberto Baiardi, Giovanna Fronzoni, Mauro Stener, Cesare Grazioli, Monica de Simone

J Chem Phys· September 2019

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