D. Duflot

发表

Nitrosyl iodide, INO: a combined ab initio and high-resolution spectroscopic study

S. Nakahama, S. Bailleux, H. Ozeki, 2016 .

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

L. Wiesenfeld, D. Duflot, P. Peters, 2013, The Journal of chemical physics.

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.

S. Hoffmann, N. Mason, P. Limão-Vieira, 2014, The Journal of chemical physics.

A combined experimental and theoretical study of the lowest-lying valence, Rydberg and ionic electronic states of 2,4,6-trichloroanisole

S. Hoffmann, R. Richter, M. Brunger, 2021 .

Absolute photoabsorption cross-sections of methanol for terrestrial and astrophysical relevance.

S. Hoffmann, M. Brunger, P. Limão-Vieira, 2020, The journal of physical chemistry. A.

Studies of low-lying triplet states in 1,3-C4F6, c-C4F6 and 2-C4F6 by electron energy-loss spectroscopy and ab initio calculations

M. Hoshino, Hiroshi Tanaka, F. D. Silva, 2013 .

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.

M. Hoshino, H. Tanaka, P. Limão-Vieira, 2012, The journal of physical chemistry. A.

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

M. Hoshino, S. Hoffmann, H. Tanaka, 2019, The Journal of chemical physics.

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

R. Hernández-Lamoneda, M. I. Bernal-Uruchurtu, D. Duflot, 2015, The Journal of chemical physics.

The lowest-lying electronic states of isoflurane and sevoflurane in the 5.0–10.8 eV energy range investigated by experimental and theoretical methods

S. Hoffmann, P. Limão-Vieira, N. Jones, 2019, Chemical Physics Letters.

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

S. Hoffmann, N. Mason, P. Limão-Vieira, 2015, The journal of physical chemistry. A.

Spectroscopy and Photodissociation of the Perfluorooctanoate Anion.

A. Giuliani, D. Duflot, E. Nicol, 2018, Chemistry.

The K-shell spectra of tetrahydrofuran studied by electron energy loss spectroscopy and abinitio calculations

J. Flament, D. Duflot, J. Heinesch, 2010 .

Electronic excitation of gaseous acetic acid studied by K-shell electron energy loss spectroscopy and ab initio calculations

J. Flament, A. Giuliani, D. Duflot, 2008 .

Ab initio study of core excited cyclopropane

J. Flament, D. Duflot, S. Zeggari, 2006 .

Ab initio and experimental study of the K-shell spectra of 2,5-dihydrofuran

J. Flament, A. Giuliani, D. Duflot, 2005 .

Re-analysis of the K-shell spectrum of benzene

J. Flament, D. Duflot, J. Heinesch, 2000 .

Electronic excitation of gaseous pyrrole and pyrazole by inner-shell electron energy loss spectroscopy

C. Hannay, J. Flament, D. Duflot, 1998 .

$Ab~initio$ and experimental study of the K-shell spectra of s-triazine

J. Flament, A. Giuliani, D. Duflot, 2005 .

Valence shell direct double photodetachment in polyanions

P. Dugourd, R. Antoine, L. Nahon, 2013 .

On the electronic structure of methyl butyrate and methyl valerate

S. Hoffmann, N. Mason, L. Zuin, 2020, The European Physical Journal D.

Theoretical study of the radiative properties of the A1Π-X1Σ+ system of the GeO molecule

D. Duflot, J. Schamps, F. Sefyani, 1995 .

Ab initio study of the acetylene and vinylidene dications fragmentation

J. Flament, D. Duflot, J. Robbe, 1995 .

Dissociations of the ethyne dication C2H2+2

Roland Thissen, R. Thissen, J. Eland, 1993 .

The core excitation of pyridine and pyridazine: An electron spectroscopy and ab initio study

C. Hannay, J. Flament, D. Duflot, 1999 .

Water ice deuteration: a tracer of the chemical history of protostars

C. Ceccarelli, C. Kahane, L. Wiesenfeld, 2012, 1211.0514.

Synchrotron Radiation UV-VUV Photoabsorption of Gas Phase Molecules

S. Hoffmann, P. Limão-Vieira, N. Jones, 2019, Radiation in Bioanalysis.

Ab initio potential energy surfaces for C2H→C2+H photodissociation

J. Flament, D. Duflot, J. Robbe, 1994 .

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.

M. Hoshino, H. Tanaka, P. Limão-Vieira, 2017, The Journal of chemical physics.

Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids.

S. Hoffmann, N. Mason, P. Limão-Vieira, 2009, Physical chemistry chemical physics : PCCP.

Photoionization of the Buckminsterfullerene Cation.

J. Bizau, D. Cubaynes, A. Giuliani, 2017, The journal of physical chemistry letters.

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

N. Mason, P. Limão-Vieira, D. Duflot, 2012, Physical chemistry chemical physics : PCCP.

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

S. Hoffmann, N. Mason, P. Limão-Vieira, 2015, The journal of physical chemistry. A.

Electronic states of neutral and ionized tetrahydrofuran studied by VUV spectroscopy and ab initio calculations

S. Hoffmann, N. Mason, P. Limão-Vieira, 2009 .

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

M. Hoshino, H. Tanaka, P. Limão-Vieira, 2014, The journal of physical chemistry. A.

Core shell excitation of 2-propenal (acrolein) at the O 1s and C 1s edges: An experimental and ab initio study

I. C. Walker, J. Flament, Jean-Pierre Flament, 2003 .

Studies on GeF4 Valence and Rydberg States by Electron Impact Spectroscopy and Ab Initio Calculations.

M. Hoshino, H. Tanaka, P. Limão-Vieira, 2016, The journal of physical chemistry. A.

Electronic excitation to low-lying states of GeF4 molecule by electron impact: A comparative study with CF4 and SiF4 molecules

M. Hoshino, P. Limão-Vieira, H. Kato, 2015 .

QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

B. Kerkeni, D. Duflot, C. Toubin, 2022, Frontiers in Astronomy and Space Sciences.

Thiazyl chloride: an experimental and theoretical study of the valence shell HeI photoelectron spectrum

J. Flament, A. Giuliani, D. Duflot, 2003 .

Acetic acid electronic state spectroscopy by high-resolution vacuum ultraviolet photo-absorption, electron impact, He(I) photoelectron spectroscopy and ab initio calculations

S. Hoffmann, N. Mason, J. Flament, 2006 .

AB INITIO STUDY OF THE CHLOROMETHANE DICATION FRAGMENTATION

J. Flament, D. Duflot, J. Robbe, 1997 .

Stability of the CH3Cl dication

J. Flament, D. Duflot, J. Robbe, 1995 .

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

A. Cassimi, D. Duflot, M. Galassi, 2009, The Journal of chemical physics.

Core shell excitation of furan at the O1s and C1s edges: An experimental and ab initio study

J. Flament, A. Giuliani, D. Duflot, 2003 .

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

S. Hoffmann, M. Brunger, P. Limão-Vieira, 2016, The Journal of chemical physics.

Fourier-transform microwave and submillimeter-wave spectroscopy of chloroiodomethane, CH2ICl

S. Bailleux, H. Ozeki, P. Kania, 2011 .

Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

D. Duflot, C. Toubin, M. Monnerville, 2021, Frontiers in Astronomy and Space Sciences.

Isotopic effect on the dissociation dynamics of HOD2+ water molecules: An extensive numerical study

D. Duflot, B. Gervais, E. Giglio, 2009 .

C 1s and n 1s core excitation of aniline : Experiment by electron impact and ab initio calculations

J. Flament, A. Giuliani, D. Duflot, 2007 .

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

K. Taniguchi, S. Bailleux, H. Ozeki, 2014, The journal of physical chemistry. A.

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

H. Meyer, D. Duflot, C. Toubin, 2007, The Journal of chemical physics.

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

J. Lovrić, D. Duflot, C. Toubin, 2016, The journal of physical chemistry. A.

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

D. Duflot, F. Dayou, M. Monnerville, 2013, The Journal of chemical physics.

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

O. Dangles, A. Giuliani, D. Duflot, 2018, Journal of Physical Chemistry B.

Cross sections for electron scattering from α-tetrahydrofurfuryl alcohol

K. Ratnavelu, H. V. Duque, M. Brunger, 2014 .

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

K. Ratnavelu, H. V. Duque, M. Brunger, 2014, The Journal of chemical physics.

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

S. Hoffmann, M. Brunger, M. Lopes, 2014, The journal of physical chemistry. A.

Evaluation of GMDH and MLP Networks for Prediction of Compressive Strength and Workability of Concrete

D. Duflot, M. Becker, 2017 .

Classical Molecular Dynamics Study of Small-Chain Carboxylic Acid Aerosol Particles

V. Riffault, D. Duflot, C. Toubin, 2019, ACS Earth and Space Chemistry.

Inner-shell excitation of monocyanoethylene, trans-dicyanoethylene, and allylcyanide by electron energy loss spectroscopy

C. Hannay, G. Tourillon, D. Duflot, 1997 .

Theory of Gas Phase Scattering and Reactivity for Astrochemistry

P. Caselli, L. Bizzocchi, W. Thi, 2016, 1610.00438.

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

S. Hoffmann, P. Limão-Vieira, D. Duflot, 2012, The journal of physical chemistry. A.

Valence shell electronic spectroscopy of isoprene studied by theoretical calculations and by electron scattering, photoelectron, and absolute photoabsorption measurements.

S. Hoffmann, N. Mason, J. Flament, 2009, Physical chemistry chemical physics : PCCP.

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

C. Ceccarelli, C. Kahane, L. Wiesenfeld, 2011, The journal of physical chemistry. A.

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

S. Hoffmann, P. Limão-Vieira, G. Martins, 2010, Physical chemistry chemical physics : PCCP.

The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods

S. Hoffmann, M. Brunger, M. Homem, 2020 .