List of works - Vincenzo Carravetta

Ab initio calculations of molecular resonant photoemission spectra

scientific article published on 8 November 2000

Accurate photodetachment cross sections for Li-

scientific article published on 14 July 1989

Alternative basis functions for L2 calculations on the molecular continuum. I. The basic prototype integrals

scientific article published on 01 April 1992

Alternative basis functions for L2 calculations on the molecular continuum. II. Integrals with higher-order functions

scientific article published on 01 April 1992

Angular distribution of different vibrational components of the X and B states reached after resonant Auger decay of core-excited H2O: experiment and theory

scientific article published on 01 February 2005

Binuclear transition metal complexes on gold: Molecular orientation by angular dependent NEXAFS spectroscopy

Constant-atomic-final-state filtering of dissociative states in the O1s→σ* core excitation in O2

scientific article published on 01 August 2005

Continuous electronic spectrum accompanying the beta decay of molecular tritium

scientific article published on 01 September 1988

Core ionization potentials from self-interaction corrected Kohn-Sham orbital energies

scientific article published on 01 November 2007

Core level study of alanine and threonine

scientific article published in August 2008

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: experiment and theory.

scientific article published in March 2005

Core-valence double photoionization of the CS(2) molecule.

scientific article published on September 2010

Cysteine on TiO2(110): a theoretical study by reactive dynamics and photoemission spectra simulation

scientific article published on 18 July 2014

Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces

scientific article published on 01 February 2009

Electronic structure of aromatic amino acids studied by soft x-ray spectroscopy.

scientific article published in July 2009

Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels

scientific article published on 01 March 2007

Experimental and theoretical XPS and NEXAFS studies of N-methylacetamide and N-methyltrifluoroacetamide

scientific article published on 22 December 2015

Experimental and theoretical elucidation of catalytic pathways in TiO2-initiated prebiotic polymerization

scientific article published on 01 March 2019

Hybrid density functional-molecular mechanics calculations for core-electron binding energies of glycine in water solution.

scientific article published on 19 November 2012

Inner shell excitation, ionization and fragmentation of pyrimidine

Investigation of the amino acids glycine, proline, and methionine by photoemission spectroscopy.

scientific article published on 6 October 2007

Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics

scientific article published on 20 February 2019

Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models

scientific article published on 21 December 2017

Multiconfiguration linear-response approaches to the calculation of absolute photoionization cross sections: HF,H2O, and Ne

scientific article published in May 1993

O 1s --> sigma* resonance in O2: inadequacy of only two exchange-split components

scientific article published on 03 June 2002

On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands

Orientational probing of polymeric thin films by NEXAFS: Calculations on polytetrafluoroethylene

scientific article published on 01 June 1995

Oxidation states of graphene: insights from computational spectroscopy

scientific article published in December 2009

Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles.

scientific article published on 22 June 2017

Peptide-TiO2 surface interaction in solution by ab initio and molecular dynamics simulations

scientific article published on 01 March 2006

Peptide/TiO2 surface interaction: a theoretical and experimental study on the structure of adsorbed ALA-GLU and ALA-LYS.

scientific article

Peptides adsorption on TiO2 and Au: Molecular organization investigated by NEXAFS, XPS and IR

Photoemission and photoabsorption spectroscopy of glycyl-glycine in the gas phase

scientific article published in October 2009

Polarization propagator for x-ray spectra

scientific article published on 02 October 2006

Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

scientific article published on July 2010

Quantum molecular dynamics study of water on TiO2(110) surface

scientific article published on 01 August 2008

Resonant Auger spectroscopy at the carbon and nitrogen K-edges of pyrimidine

scientific article published on 01 April 2012

Simulation of Gold Functionalization with Cysteine by Reactive Molecular Dynamics.

scientific article published on 6 January 2016

Static exchange and cluster modeling of core electron shakeup spectra of surface adsorbates: CO/Cu(100)

scientific article published on 01 June 1996

Stieltjes imaging method for molecular Auger transition rates: Application to the Auger spectrum of water

scientific article published on 01 February 1987

Surface-Altered Protonation Studied by Photoelectron Spectroscopy and Reactive Dynamics Simulations.

scientific article

Symmetry breaking and hole localization in multiple core electron ionization.

scientific article

The carbon and oxygen K-edge NEXAFS spectra of CO

scientific article published on 09 July 2020

The decay of the C 1s → 2π 3Π inner-shell excited state of CO

The umbrella motion of core-excited CH3 and CD3 methyl radicals

scientific article

Theoretical simulations of structure and X-ray photoelectron spectra of glycine and diglycine adsorbed on Cu(110)

scientific article published on 30 July 2013

Vibrational state dependence of beta and D asymmetry parameters: the case of the highest occupied molecular orbital photoelectron spectrum of methyl-oxirane

scientific article published in September 2007

Vibronic emission from short-lived core-hole states: Theory and applications for the water molecule

scientific article published on 01 July 1989

X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s-->sigma* resonance: experiment and theory

scientific article published on 01 February 2008

List of works by Vincenzo Carravetta

Ab initio calculations of molecular resonant photoemission spectra

Accurate photodetachment cross sections for Li-

Alternative basis functions for L2 calculations on the molecular continuum. I. The basic prototype integrals

Alternative basis functions for L2 calculations on the molecular continuum. II. Integrals with higher-order functions

Angular distribution of different vibrational components of the X and B states reached after resonant Auger decay of core-excited H2O: experiment and theory

Binuclear transition metal complexes on gold: Molecular orientation by angular dependent NEXAFS spectroscopy

Constant-atomic-final-state filtering of dissociative states in the O1s→σ* core excitation in O2

Continuous electronic spectrum accompanying the beta decay of molecular tritium

Core ionization potentials from self-interaction corrected Kohn-Sham orbital energies

Core level study of alanine and threonine

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: experiment and theory.

Core-valence double photoionization of the CS(2) molecule.

Cysteine on TiO2(110): a theoretical study by reactive dynamics and photoemission spectra simulation

Electronic structure of [121]tetramantane-6-thiol on gold and silver surfaces

Electronic structure of aromatic amino acids studied by soft x-ray spectroscopy.

Electronic structure of copper phthalocyanine: an experimental and theoretical study of occupied and unoccupied levels

Experimental and theoretical XPS and NEXAFS studies of N-methylacetamide and N-methyltrifluoroacetamide

Experimental and theoretical elucidation of catalytic pathways in TiO2-initiated prebiotic polymerization

Hybrid density functional-molecular mechanics calculations for core-electron binding energies of glycine in water solution.

Inner shell excitation, ionization and fragmentation of pyrimidine

Investigation of the amino acids glycine, proline, and methionine by photoemission spectroscopy.

Modeling Nucleation and Growth of ZnO Nanoparticles in a Low Temperature Plasma by Reactive Dynamics

Molecular dynamics simulations of melting and sintering of Si nanoparticles: a comparison of different force fields and computational models

Multiconfiguration linear-response approaches to the calculation of absolute photoionization cross sections: HF,H2O, and Ne

O 1s --> sigma* resonance in O2: inadequacy of only two exchange-split components

On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands

Orientational probing of polymeric thin films by NEXAFS: Calculations on polytetrafluoroethylene

Oxidation states of graphene: insights from computational spectroscopy

Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles.

Peptide-TiO2 surface interaction in solution by ab initio and molecular dynamics simulations

Peptide/TiO2 surface interaction: a theoretical and experimental study on the structure of adsorbed ALA-GLU and ALA-LYS.

Peptides adsorption on TiO2 and Au: Molecular organization investigated by NEXAFS, XPS and IR

Photoemission and photoabsorption spectroscopy of glycyl-glycine in the gas phase

Polarization propagator for x-ray spectra

Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

Quantum molecular dynamics study of water on TiO2(110) surface

Resonant Auger spectroscopy at the carbon and nitrogen K-edges of pyrimidine

Simulation of Gold Functionalization with Cysteine by Reactive Molecular Dynamics.

Static exchange and cluster modeling of core electron shakeup spectra of surface adsorbates: CO/Cu(100)

Stieltjes imaging method for molecular Auger transition rates: Application to the Auger spectrum of water

Surface-Altered Protonation Studied by Photoelectron Spectroscopy and Reactive Dynamics Simulations.

Symmetry breaking and hole localization in multiple core electron ionization.

The carbon and oxygen K-edge NEXAFS spectra of CO

The decay of the C 1s → 2π 3Π inner-shell excited state of CO

The umbrella motion of core-excited CH3 and CD3 methyl radicals

Theoretical simulations of structure and X-ray photoelectron spectra of glycine and diglycine adsorbed on Cu(110)

Vibrational state dependence of beta and D asymmetry parameters: the case of the highest occupied molecular orbital photoelectron spectrum of methyl-oxirane

Vibronic emission from short-lived core-hole states: Theory and applications for the water molecule

X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s-->sigma* resonance: experiment and theory