List of works - Denis Duflot

A global ab initio potential energy surface for the X2A' ground state of the Si + OH → SiO + H reaction

scientific article published in November 2013

BF3 valence and Rydberg states as probed by electron energy loss spectroscopy and ab initio calculations

scientific article

Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

scientific article published on 25 May 2018

Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice.

scientific article

Differential cross sections for intermediate-energy electron scattering from α-tetrahydrofurfuryl alcohol: excitation of electronic-states.

scientific article

Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods.

scientific article published on 28 July 2015

Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations

scientific article published on 17 October 2012

Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations.

scientific article published on 31 July 2012

Electronic state spectroscopy of c-C5F8 explored by photoabsorption, electron impact, photoelectron spectroscopies and ab initio calculations.

scientific article published on 11 March 2008

Electronic state spectroscopy of methyl formate probed by high resolution VUV photoabsorption, He(i) photoelectron spectroscopy and ab initio calculations.

scientific article published on 19 August 2010

Electronic states of F2CO as studied by electron energy-loss spectroscopy and ab initio calculations

scientific article published on 15 March 2011

Electronic states of tetrahydrofurfuryl alcohol (THFA) as studied by VUV spectroscopy and ab initio calculations

scientific article published on 28 April 2014

Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF4 (X = C, Si, and Ge) molecules

scientific article

Fourier transform microwave and millimeter-wave spectroscopy of bromoiodomethane, CH2BrI.

scientific article

Ground state analytical ab initio intermolecular potential for the Cl(2)-water system.

scientific article published on April 2015

Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations.

scientific article published on 9 January 2012

Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.

scientific article

Photoionization of the Buckminsterfullerene Cation.

scientific article

Revisiting the photoabsorption spectrum of NH3 in the 5.4-10.8 eV energy region

scientific article published on 01 November 2019

The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations.

scientific article

The H2O(2+) potential energy surfaces dissociating into H(+)/OH(+): theoretical analysis of the isotopic effect

scientific article published on 01 July 2009

The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: An ab initio study ⬇️

scientific article published on July 7, 2012

Theoretical investigation of the isomerization of trans-HCOH to H2CO: an example of a water-catalyzed reaction.

scientific article

Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation.

scientific article published on 5 August 2015

Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations.

scientific article

Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods.

scientific article published in July 2016

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

scientific article

List of works by Denis Duflot

A global ab initio potential energy surface for the X2A' ground state of the Si + OH → SiO + H reaction

BF3 valence and Rydberg states as probed by electron energy loss spectroscopy and ab initio calculations

Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice.

Differential cross sections for intermediate-energy electron scattering from α-tetrahydrofurfuryl alcohol: excitation of electronic-states.

Electronic State Spectroscopy of Halothane As Studied by ab Initio Calculations, Vacuum Ultraviolet Synchrotron Radiation, and Electron Scattering Methods.

Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations

Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations.

Electronic state spectroscopy of c-C5F8 explored by photoabsorption, electron impact, photoelectron spectroscopies and ab initio calculations.

Electronic state spectroscopy of methyl formate probed by high resolution VUV photoabsorption, He(i) photoelectron spectroscopy and ab initio calculations.

Electronic states of F2CO as studied by electron energy-loss spectroscopy and ab initio calculations

Electronic states of tetrahydrofurfuryl alcohol (THFA) as studied by VUV spectroscopy and ab initio calculations

Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF4 (X = C, Si, and Ge) molecules

Fourier transform microwave and millimeter-wave spectroscopy of bromoiodomethane, CH2BrI.

Ground state analytical ab initio intermolecular potential for the Cl(2)-water system.

Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations.

Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.

Photoionization of the Buckminsterfullerene Cation.

Revisiting the photoabsorption spectrum of NH3 in the 5.4-10.8 eV energy region

The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations.

The H2O(2+) potential energy surfaces dissociating into H(+)/OH(+): theoretical analysis of the isotopic effect

The vibrational structure of the oxygen K-shell spectra in acenaphthenequinones: An ab initio study ⬇️

Theoretical investigation of the isomerization of trans-HCOH to H2CO: an example of a water-catalyzed reaction.

Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation.

Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations.

Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods.

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study