List of works - Monica de Simone

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene.

scientific article published in February 2017

A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene.

scientific article published in May 2017

A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3(+).

scientific article published on 23 June 2009

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.

scientific article published in May 2016

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene.

scientific article published in March 2016

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

Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study

scientific article published on 01 October 2019

Coster-Kronig decay of 3p core-excited states of atomic zinc

scientific article published on 01 March 1994

Detection of the 1pe series of doubly excited helium states below N=2 via the stark effect.

scientific article

Dissociative double photoionization of N2 using synchrotron radiation: appearance energy of the N2+ dication

scientific article published on 01 April 2007

Double-configuration grating monochromator for extreme-ultraviolet ultrafast pulses.

scientific article

Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies

scientific article published on 25 October 2018

Electronic structure investigation of biphenylene films

scientific article

Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA

scientific article published on 01 August 2019

Electronic structure of M(BH4)4, M = Zr, Hf, and U, by variable photon-energy photoelectron spectroscopy and density functional calculations.

scientific article published in October 2005

Electronic structure of ReO3Me by variable photon energy photoelectron spectroscopy, absorption spectroscopy and density functional calculations

scientific article published on 01 March 2003

Elucidating the 3d electronic configuration in manganese phthalocyanine

scientific article published on 28 January 2014

Fluorescence emission from photo-fragments after resonant S 2p excitations in H2S

scientific article published on 24 November 2006

Fluorescence emission of excited hydrogen atoms after core excitation of water vapor

scientific article published on 17 February 2006

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

scientific article published on 01 November 2020

Interplay among work function, electronic structure and stoichiometry in nanostructured VOx films

scientific article published on 01 March 2020

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations.

scientific article published in October 2015

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.

scientific article published in April 2015

Nanostructured TiOx film on Si substrate: room temperature formation of TiSix nanoclusters

Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization

scientific article published in December 2006

S2p core level spectroscopy of short chain oligothiophenes.

scientific article published in December 2017

Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes

scientific article published on 01 July 2005

Spectroscopic Fingerprints of Intermolecular H-Bonding Interactions in Carbon Nitride Model Compounds

scientific article published on 27 August 2018

Strong oscillations in molecular valence photoemission intensities

scientific article published in December 2005

Study of the electronic structure of short chain oligothiophenes

scientific article published in February 2017

Tautomerism in cytosine and uracil: a theoretical and experimental X-ray absorption and resonant auger study.

scientific article published on September 2010

The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.

scientific article

The Low Density Matter (LDM) beamline at FERMI: optical layout and first commissioning

scientific article published on 21 April 2015

The electronic characterization of biphenylene--experimental and theoretical insights from core and valence level spectroscopy

scientific article published on 01 February 2015

The electronic structure of gas phase croconic acid compared to the condensed phase: more insight into the hydrogen bond interaction

scientific article published on 01 January 2013

The electronically excited states of cyclooctatetraene-An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods

scientific article published on 01 August 2019

The gas-phase photoemission beamline at Elettra.

scientific article

The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods

scientific article published on 01 April 2020

The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods

scientific article published on 01 May 2019

The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.

scientific article

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations

scientific article published on 01 April 2015

The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations

scientific article published on 01 July 2018

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

scientific article published on 01 August 2020

The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations

scientific article published on 01 June 2018

Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine

scientific article published on 01 September 2019

Time-dependent quantum simulation of coronene photoemission spectra.

scientific article published on 3 May 2016

Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

scientific article published on 08 February 2019

Ultrafast Charge Transfer Pathways Through A Prototype Amino-Carboxylic Molecular Junction

scientific article published on 2 February 2016

Valence-band electronic structure of iron phthalocyanine: an experimental and theoretical photoelectron spectroscopy study

scientific article published on 01 February 2011

Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp3and LuCp3†

scientific article published on 8 November 2010

Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides

scientific article published in April 2014

Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment.

scientific article published in November 2015

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

article

List of works by Monica de Simone

A combined theoretical and experimental study of the ionic states of iodopentafluorobenzene.

A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene.

A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3(+).

Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene.

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene.

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]

Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study

Coster-Kronig decay of 3p core-excited states of atomic zinc

Detection of the 1pe series of doubly excited helium states below N=2 via the stark effect.

Dissociative double photoionization of N2 using synchrotron radiation: appearance energy of the N2+ dication

Double-configuration grating monochromator for extreme-ultraviolet ultrafast pulses.

Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies

Electronic structure investigation of biphenylene films

Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA

Electronic structure of M(BH4)4, M = Zr, Hf, and U, by variable photon-energy photoelectron spectroscopy and density functional calculations.

Electronic structure of ReO3Me by variable photon energy photoelectron spectroscopy, absorption spectroscopy and density functional calculations

Elucidating the 3d electronic configuration in manganese phthalocyanine

Fluorescence emission from photo-fragments after resonant S 2p excitations in H2S

Fluorescence emission of excited hydrogen atoms after core excitation of water vapor

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

Interplay among work function, electronic structure and stoichiometry in nanostructured VOx films

Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations.

Interpretation of the vacuum ultraviolet photoabsorption spectrum of iodobenzene by ab initio computations.

Nanostructured TiOx film on Si substrate: room temperature formation of TiSix nanoclusters

Oxidation of nanostructured Ti films produced by low energy cluster beam deposition: An X-ray Photoelectron Spectroscopy characterization

Photoelectron spectroscopy of Ce(η-C5H5)3 – Accessing two ion states on 4f ionization

S2p core level spectroscopy of short chain oligothiophenes.

Soft-x-ray photoemission spectroscopy and ab initio studies on the adsorption of NO2 molecules on defective multiwalled carbon nanotubes

Spectroscopic Fingerprints of Intermolecular H-Bonding Interactions in Carbon Nitride Model Compounds

Strong oscillations in molecular valence photoemission intensities

Study of the electronic structure of short chain oligothiophenes

Tautomerism in cytosine and uracil: a theoretical and experimental X-ray absorption and resonant auger study.

The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.

The Low Density Matter (LDM) beamline at FERMI: optical layout and first commissioning

The electronic characterization of biphenylene--experimental and theoretical insights from core and valence level spectroscopy

The electronic structure of gas phase croconic acid compared to the condensed phase: more insight into the hydrogen bond interaction

The electronically excited states of cyclooctatetraene-An analysis of the vacuum ultraviolet absorption spectrum by ab initio configuration interaction methods

The gas-phase photoemission beamline at Elettra.

The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods

The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methods

The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations.

The ionic states of iodobenzene studied by photoionization and ab initio configuration interaction and DFT computations

The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations

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

The valence and Rydberg states of difluoromethane: A combined experimental vacuum ultraviolet spectrum absorption and theoretical study by ab initio configuration interaction and density functional computations

Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine

Time-dependent quantum simulation of coronene photoemission spectra.

Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol

Ultrafast Charge Transfer Pathways Through A Prototype Amino-Carboxylic Molecular Junction

Valence-band electronic structure of iron phthalocyanine: an experimental and theoretical photoelectron spectroscopy study

Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp3and LuCp3†

Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides

Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment.

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene