AZ

Anne Zehnacker

124
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Publications

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Modeling the Vibrational Circular Dichroism Spectroscopy of Phenylcyclohexanediol Solvated in Dimethyl Sulfoxide Using Polarizable Molecular Dynamics

Emeline Boyer , Lou D’haese , Jessica Bowles , Sascha Jähnigen , Katia Le Barbu-Debus et al.

Journal of Physical Chemistry B, 2026, ⟨10.1021/acs.jpcb.5c05306⟩

Article dans une revue hal-05451847v1
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Exploring Naproxen Cocrystals Through Solid‐State Vibrational Circular Dichroism

Adam Sklenář , Anne Zehnacker-Rentien , Jakub Kaminský , Jan Rohlíček , Petr Bouř

Chirality, 2025, 37 (3), pp.e70027. ⟨10.1002/chir.70027⟩

Article dans une revue hal-04966062v1
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The role of intramolecular hydrogen bonding in photoelectron circular dichroism: the diastereoisomers of 1-amino-2-indanol

Jennifer Dupont , Julien Vincent , Anne Zehnacker , Gustavo Garcia , Laurent Nahon et al.

Physical Chemistry Chemical Physics, 2025, 27 (5), pp.2739-2748. ⟨10.1039/d4cp04248d⟩

Article dans une revue hal-04966044v1
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Proton tunneling, isotopic effects, and dealkylation reaction in tetra-tertbutyl porphycene: Supersonic jet spectroscopy revisited

Michał Gil , Ephriem Tadesse Mengesha , Michał Kijak , Anne Zehnacker-Rentien , Jerzy Sepioł et al.

The Journal of Chemical Physics, 2025, 163 (2), ⟨10.1063/5.0271560⟩

Article dans une revue hal-05164937v1
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The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals

Sascha Jähnigen , Rodolphe Vuilleumier , Anne Zehnacker

Chemical Science, 2025, 16 (22), pp.9833-9842. ⟨10.1039/d4sc08055f⟩

Article dans une revue hal-05164877v1
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Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols

Jennifer Dupont , Beppo Hartwig , Katia Le Barbu-Debus , Valéria Lepère , Regis Guillot et al.

Physical Chemistry Chemical Physics, 2024, ⟨10.1039/d4cp00351a⟩

Article dans une revue hal-04504045v1
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Conformer‐Selective Photoelectron Circular Dichroism

Etienne Rouquet , Jennifer Dupont , Valeria Lepere , Gustavo Garcia , Laurent Nahon et al.

Angewandte Chemie International Edition, 2024, 63 (17), ⟨10.1002/anie.202401423⟩

Article dans une revue hal-04732936v1
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Enantioselective Complexation of Protonated Tyrosine by a Chiral Crown‐ether: The Nature of the Hydrogen Bonds Makes the Difference

Kien Vo , Keisuke Hirata , Bruno Martínez-Haya , Jos Oomens , Shun‐ichi Ishiuchi et al.

ChemPhysChem, 2024, pp.e202400880. ⟨10.1002/cphc.202400880⟩

Article dans une revue hal-04861276v1
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Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases

Jessica Bowles , Sascha Jähnigen , Federica Agostini , Rodolphe Vuilleumier , Anne Zehnacker et al.

ChemPhysChem, 2024, 25 (8), pp.e202300982. ⟨10.1002/cphc.202300982⟩

Article dans une revue hal-04489317v1
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Induced photoelectron circular dichroism onto an achiral chromophore

Etienne Rouquet , Madhusree Roy Chowdhury , Gustavo A Garcia , Laurent Nahon , Jennifer Dupont et al.

Nature Communications, 2023, 14 (1), pp.6290. ⟨10.1038/s41467-023-42002-1⟩

Article dans une revue hal-04239788v1
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The first HyDRA challenge for computational vibrational spectroscopy

Taija L Fischer , Margarethe Bödecker , Sophie M Schweer , Jennifer Dupont , Valéria Lepère et al.

Physical Chemistry Chemical Physics, 2023, 25 (33), pp.22089-22102. ⟨10.1039/D3CP01216F⟩

Article dans une revue hal-04239413v1
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Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr-Tyr)

Koki Yoshizawa , Keisuke Hirata , Shun‐ichi Ishiuchi , Masaaki Fujii , Anne Zehnacker

ChemPhysChem, 2023, 24 (18), pp.e202300172. ⟨10.1002/cphc.202300172⟩

Article dans une revue hal-04239392v1
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Subtle hydrogen bond preference and dual Franck–Condon activity – the interesting pairing of 2-naphthol with anisole

Arman Nejad , Ariel Pérez-Mellor , Manuel Lange , Ivan Alata , Anne Zehnacker et al.

Physical Chemistry Chemical Physics, 2023, 25 (15), pp.10427-10439. ⟨10.1039/d3cp00160a⟩

Article dans une revue hal-04239308v1
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Benchmark experiments for numerical quantum chemistry

Ricardo Mata , Martin Suhm , A. Zehnacker-Rentien

Physical Chemistry Chemical Physics, 2023, 25 (39), pp.26415-26416. ⟨10.1039/d3cp90186f⟩

Article dans une revue hal-04333548v1
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Lumière sur les molécules chirales

Anne Zehnacker

L'Actualité Chimique, 2023

Article dans une revue hal-04239473v1
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Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model

Zeynab Imani , V. Rao Mundlapati , Valérie Brenner , Eric Gloaguen , Katia Le Barbu-Debus et al.

Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩

Article dans une revue hal-03923111v1
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How Symmetry Influences the Dissociation of Protonated Cyclic Peptides

Ariel F Pérez-Mellor , Riccardo Spezia , Anne Zehnacker

Symmetry, 2022, 14 (4), pp.679. ⟨10.3390/sym14040679⟩

Article dans une revue hal-03736143v1
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Photoelectron Circular Dichroism as a Signature of Subtle Conformational Changes: The Case of Ring Inversion in 1-Indanol

Jennifer Dupont , Valéria Lepère , Anne Zehnacker , Sebastian Hartweg , Gustavo A Garcia et al.

Journal of Physical Chemistry Letters, 2022, 13 (10), pp.2313-2320. ⟨10.1021/acs.jpclett.2c00074⟩

Article dans une revue hal-03775845v1
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Do Stereochemical Effects Overcome a Charge-induced Perturbation in Isolated Protonated cyclo(Tyr-Tyr)?

Koki Yoshizawa , Keisuke Hirata , Shun-Ichi Ishiuchi , Masaaki Fujii , Anne Zehnacker

Journal of Physical Chemistry A, 2022, ⟨10.1021/acs.jpca.2c03789⟩

Article dans une revue hal-04239350v1
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Jet-cooled laser spectroscopy and solid-state vibrational circular dichroism of the cyclo-(Tyr-Phe) diketopiperazine dipeptide

Jennifer Dupont , Régis Guillot , Valéria Lepère , Anne Zehnacker

Journal of Molecular Structure, 2022, 1262, pp.133059. ⟨10.1016/j.molstruc.2022.133059⟩

Article dans une revue hal-03736150v1
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How change in chirality prevents β-amyloid type interaction in a protonated cyclic dipeptide dimer

Katia Le Barbu-Debus , Ariel Pérez-Mellor , Valéria Lepère , Anne Zehnacker

Physical Chemistry Chemical Physics, 2022, 24 (33), pp.19783 - 19791. ⟨10.1039/d2cp03110h⟩

Article dans une revue hal-03788936v1
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How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State

Sascha Jähnigen , Katia Le Barbu-Debus , Régis Guillot , Rodolphe Vuilleumier , Anne Zehnacker

Angewandte Chemie International Edition, 2022, ⟨10.1002/anie.202215599⟩

Article dans une revue hal-03926814v1
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Setting up the HyDRA blind challenge for the microhydration of organic molecules

Taija L Fischer , Margarethe Bödecker , Anne Zehnacker-Rentien , Ricardo A Mata , Martin A Suhm

Physical Chemistry Chemical Physics, 2022, 24 (19), pp.11442-11454. ⟨10.1039/d2cp01119k⟩

Article dans une revue hal-03736167v2
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Competition between inter and intramolecular hydrogen bond evidenced by vibrational circular dichroism spectroscopy: The case of (1S,2R)‐(−)‐cis‐1‐amino‐2‐indanol

Katia Le Barbu-Debus , Anne Zehnacker

Chirality, 2021, ⟨10.1002/chir.23362⟩

Article dans une revue hal-03356734v1
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Structure and Collision-Induced Dissociation of the protonated cyclo His-Phe Dipeptide: Mechanistic Studies and Stereochemical Effects

Ariel Pérez-Mellor , Katia Le Barbu-Debus , Valeria Lepere , Ivan Alata , Riccardo Spezia et al.

The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2021, 75 (6), ⟨10.1140/epjd/s10053-021-00173-w⟩

Article dans une revue hal-03249830v1
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A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine

Venkateswara Rao Mundlapati , Zeynab Imani , Gildas Goldsztejn , Eric Gloaguen , Valérie Brenner et al.

Amino Acids, 2021, 53 (4), pp.621-633. ⟨10.1007/s00726-021-02967-z⟩

Article dans une revue hal-03186714v1
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Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge

Sascha Jähnigen , Anne Zehnacker , Rodolphe Vuilleumier

Journal of Physical Chemistry Letters, 2021, pp.7213-7220. ⟨10.1021/acs.jpclett.1c01682⟩

Article dans une revue hal-03311633v1
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Stereospecific Collision-Induced Dissociation and Vibrational Spectroscopy of Protonated Cyclo (Tyr-Pro)

Ariel Pérez-Mellor , Ivan Alata , Valeria Lepere , Riccardo Spezia , Anne Zehnacker-Rentien

International Journal of Mass Spectrometry, 2021, 465, pp.116590. ⟨10.1016/j.ijms.2021.116590⟩

Article dans une revue hal-03195968v1
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Conformation control through concurrent N–H⋯S and N–H⋯O=C hydrogen bonding and hyperconjugation effects

Zeynab Imani , Venkateswara Rao Mundlapati , Gildas Goldsztejn , Valerie Brenner , Eric Gloaguen et al.

Chemical Science, 2020, 11, pp.9191-9197. ⟨10.1039/D0SC03339A⟩

Article dans une revue hal-02917912v1
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The reduced cohesion of homoconfigurational 1,2-diols

Beppo Hartwig , Manuel Lange , Anja Poblotzki , Robert Medel , Anne Zehnacker et al.

Physical Chemistry Chemical Physics, 2020, 22 (3), pp.1122-1136. ⟨10.1039/c9cp04943f⟩

Article dans une revue hal-02473832v1
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Homochiral vs. heterochiral sodium core dimers of tartaric acid esters: A mass spectrometry and vibrational spectroscopy study

Katia Le Barbu-Debus , Debora Scuderi , Valéria Lepère , Anne Zehnacker

Journal of Molecular Structure, 2020, 1205, pp.127583. ⟨10.1016/j.molstruc.2019.127583⟩

Article dans une revue hal-02441869v1
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Chiral discrimination between tyrosine and -cyclodextrin revealed by cryogenic ion trap infrared spectroscopy

Keisuke Hirata , Yuta Mori , Shun-Ichi Ishiuchi , Masaaki Fujii , Anne Zehnacker

Physical Chemistry Chemical Physics, 2020, ⟨10.1039/d0cp02968h⟩

Article dans une revue hal-02993740v1
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Solid‐state synthesis of cyclo LD‐diphenylalanine: A chiral phase built from achiral subunits

Ariel Pérez‐mellor , Katia Le Barbu-Debus , Anne Zehnacker

Chirality, 2020, 32 (5), pp.693-703. ⟨10.1002/chir.23195⟩

Article dans une revue hal-02571724v1
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Efficient incorporation and protection of lansoprazole in cyclodextrin metal-organic frameworks

Xue Li , Marianna Porcino , Charlotte Martineau-Corcos , Tao Guo , Ting Xiong et al.

International Journal of Pharmaceutics, 2020, 585, ⟨10.1016/j.ijpharm.2020.119442⟩

Article dans une revue hal-02844079v1

Glycoside scutellarin enhanced CD-MOF anchoring for laryngeal delivery

Marianna Porcino , Charlotte Martineau-Corcos , Weifeng Zhu , Gilles Patriarche , Christine Péchoux et al.

Acta Pharmaceutica Sinica B, 2020, 10 (9), pp.1709-1718. ⟨10.1016/j.apsb.2020.04.015⟩

Article dans une revue hal-03095979v1
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Assessing Cluster Models of Solvation for the Description of Vibrational Circular Dichroism Spectra: Synergy between Static and Dynamic Approaches

Katia Le Barbu-Debus , Jessica Bowles , Sascha Jähnigen , Carine Clavaguéra , Florent Calvo et al.

Physical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩

Article dans une revue hal-03014777v1
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Effects of complexation with sulfuric acid on the photodissociation of protonated Cinchona alkaloids in the gas phase

Feriel Ben Nasr , Ivan Alata , Debora Scuderi , Valéria Lepère , Valérie Brenner et al.

Physical Chemistry Chemical Physics, 2019, 21 (28), pp.15439-15451. ⟨10.1039/c9cp01518c⟩

Article dans une revue hal-02347956v1
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Conformational Study of the Jet-Cooled Diketopiperazine Peptide Cyclo Tyrosyl-Prolyl

Ariel Pérez-Mellor , Ivan Alata , Valéria Lepère , Anne Zehnacker

Journal of Physical Chemistry B, 2019, 123 (28), pp.6023-6033. ⟨10.1021/acs.jpcb.9b04529⟩

Article dans une revue hal-02347969v1
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Vibrational circular dichroism as a probe of solid‐state organisation of derivatives of cyclic β‐amino acids: Cis ‐ and trans ‐2‐aminocyclobutane‐1‐carboxylic acid

Valérie Declerck , Ariel Pérez-Mellor , Régis Guillot , David Aitken , Michel Mons et al.

Chirality, 2019, 31 (8), pp.547-560. ⟨10.1002/chir.23083⟩

Article dans une revue hal-02347980v1
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Can the Partial Peptide SIVSF of β 2 -Adrenergic Receptor Recognize Chirality of Epinephrine Neurotransmitter?

Masato Tamura , Tsubasa Sekiguchi , Shun-Ichi Ishiuchi , Anne Zehnacker-Rentien , Masaaki Fujii

Journal of Physical Chemistry Letters, 2019, ⟨10.1021/acs.jpclett.9b00184⟩

Article dans une revue hal-02070253v1
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Supersonic jet spectroscopy of parent hemiporphycene: Structural assignment and vibrational analysis for S 0 and S 1 electronic states

Sebastian Peukert , Michał Kijak , Jakub Ostapko , Jerzy Sepioł , Catherine Le Bris et al.

The Journal of Chemical Physics, 2018, 149 (13), pp.134307. ⟨10.1063/1.5048843⟩

Article dans une revue hal-02070259v1
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Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach

Tsubasa Sekiguchi , Masato Tamura , Hikari Oba , Pierre Çarçarbal , Rolando Rafael Lozada-Garcia et al.

Angewandte Chemie International Edition, 2018, 57 (20), pp.5626-5629. ⟨10.1002/anie.201712976⟩

Article dans une revue hal-02070265v1
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Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of ( S )-1-indanol

Katia Le Barbu-Debus , Arne Scherrer , Aude Bouchet , Daniel Sebastiani , Rodolphe Vuilleumier et al.

Physical Chemistry Chemical Physics, 2018, 20 (21), pp.14635-14646. ⟨10.1039/c8cp01695j⟩

Article dans une revue hal-02070261v1

Molecules in confinement in clusters, quantum solvents and matrices: general discussion

Zlatko Bacic , David Benoit , Malgorzata Biczysko , Joël Bowman , Stephen Bradforth et al.

Faraday Discussions, 2018, 212, pp.569-601. ⟨10.1039/C8FD90053A⟩

Article dans une revue hal-02070258v1

Stereochemistry-dependent hydrogen bonds stabilise stacked conformations in jet-cooled cyclic dipeptides: (LD) vs. (LL) cyclo tyrosine–tyrosine

Feriel Bennasr , Ariel Pérez-Mellor , Ivan Alata , Valéria Lepère , Nejm-Eddine Jaïdane et al.

Faraday Discussions, 2018, 212, pp.399-419. ⟨10.1039/c8fd00079d⟩

Article dans une revue hal-02070257v1

Stereochemistry-dependent structure of hydrogen-bonded protonated dimers: the case of 1-amino-2-indanol

Aude Bouchet , Johanna Klyne , Shun-Ichi Ishiuchi , Otto Dopfer , Masaaki Fujii et al.

Physical Chemistry Chemical Physics, 2018, 20 (18), pp.12430-12443. ⟨10.1039/c8cp00787j⟩

Article dans une revue hal-02070263v1

Precise characterisation of isolated molecules: general discussion

Zlatko Bacic , David Benoit , Matthieu Besemer , Joël Bowman , Stephen Bradforth et al.

Faraday Discussions, 2018, 212, pp.137-155. ⟨10.1039/C8FD90050G⟩

Article dans une revue hal-02070254v1

Chirality effects in the structures of jet-cooled bichromophoric dipeptides

Ariel Pérez-Mellor , Valéria Lepère , Anne Zehnacker , Ivan Alata

Journal of Molecular Spectroscopy, 2018, 349, pp.71-84. ⟨10.1016/j.jms.2018.02.005⟩

Article dans une revue hal-02070260v1

Quantum dynamics of isolated molecules: general discussion

Dmitri Babikov , David Benoit , Joël Bowman , Timothy Burd , David Clary et al.

Faraday Discussions, 2018, 212, pp.281-306. ⟨10.1039/C8FD90052C⟩

Article dans une revue hal-02070255v1

Molecules in confinement in liquid solvents: general discussion

Loren Ban , Joël Bowman , Stephen Bradforth , Gilberte Chambaud , Martin Dracinsky et al.

Faraday Discussions, 2018, 212, pp.383-397. ⟨10.1039/C8FD90051E⟩

Article dans une revue hal-02070256v1
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Vibrational circular dichroism of a 2,5-diketopiperazine (DKP) peptide: Evidence for dimer formation in cyclo LL or LD diphenylalanine in the solid state

Ariel Pérez-Mellor , Anne Zehnacker

Chirality, 2017, 29 (2), pp.89-96. ⟨10.1002/chir.22674⟩

Article dans une revue hal-02347991v1

Does the Residues Chirality Modify the Conformation of a Cyclo-Dipeptide? Vibrational Spectroscopy of Protonated Cyclo-diphenylalanine in the Gas Phase

Ivan Alata , Ariel Pérez-Mellor , Feriel Ben Nasr , Debora Scuderi , Vincent Steinmetz et al.

Journal of Physical Chemistry A, 2017, 121 (38), pp.7130-7138. ⟨10.1021/acs.jpca.7b06159⟩

Article dans une revue hal-02348003v1

Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies

Valéria Lepère , Katia Le Barbu-Debus , Carine Clavaguera , D. Scuderi , Giovanni Piani et al.

Physical Chemistry Chemical Physics, 2016, 18 (3), pp.1807-18017. ⟨10.1039/c5cp06768e⟩

Article dans une revue hal-01356198v1
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Competition between inter-and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer

Pierre Asselin , Bruno Madebène , Pascale Soulard , Robert Georges , Manuel Goubet et al.

The Journal of Chemical Physics, 2016, 145 (22), pp.224313. ⟨10.1063/1.4972016⟩

Article dans une revue hal-01468104v1

Photofragmentation mechanisms in protonated chiral cinchona alkaloids

Sunil Kumar , Bruno Lucas , Jacqueline Fayeton , Debora Scuderi , Ivan Alata et al.

Physical Chemistry Chemical Physics, 2016, 18 (32), pp.22668 - 22677. ⟨10.1039/C6CP04041A⟩

Article dans une revue hal-01385253v1

Local folding proclivities in cyclic b -peptide building blocks: assessment of configuration and heteroatom substitution effects by gas phase conformer-selective laser spectroscopy and quantum chemistry

Mohammad Alauddin , Eric Gloaguen , Valérie Brenner , Benjamin Tardivel , Michel Mons et al.

Chemistry - A European Journal, 2015, 21 (46), pp.16479-16493 ⟨10.1002/chem.201501794⟩

Article dans une revue istex cea-01273006v1

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy

R. Chaudret , B. De Courcy , J. Contreras-García , Eric Gloaguen , A. Zehnacker-Rentien et al.

Physical Chemistry Chemical Physics, 2014, 16, pp.9876-9891. ⟨10.1039/C3CP52774C⟩

Article dans une revue hal-01131254v1

IR–UV spectroscopy of jet-cooled 1-indanol: Restriction of the conformational space by hydration

Aude Bouchet , Jonas Altnöder , Michel Broquier , A. Zehnacker

Journal of Molecular Structure, 2014, 1076, pp.344-351. ⟨10.1016/j.molstruc.2014.07.061⟩

Article dans une revue istex hal-01080713v1

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides†

Eric Gloaguen , V. Brenner , M. Alauddin , B. Tardivel , M. Mons et al.

Angewandte Chemie International Edition, 2014, 53 (50), pp.13756-13759. ⟨10.1002/anie.201407801⟩

Article dans une revue istex hal-01131234v1

Conformational Analysis of Quinine and Its Pseudo Enantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and Vibrational Circular Dichroism Study

A. Sen , Alexandra Bouchet , V. Lepere , Barbu-Debus K. Le , D. Scuderi et al.

Journal of Physical Chemistry A, 2012, 116 (32), pp.8334-8344. ⟨10.1021/jp3047888⟩

Article dans une revue hal-00755557v2

The role of weak hydrogen bonds in chiral recognition

D. Scuderi , Katia Le Barbu-Debus , A. Zehnacker

Physical Chemistry Chemical Physics, 2011, 13 (40), pp.17916. ⟨10.1039/C1CP20987F⟩

Article dans une revue hal-02305440v1

Jet-cooled hydrates of Chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation

Katia Le Barbu-Debus , Ananya Sen , Michel Broquier , Anne Zehnacker-Rentien

Physical Chemistry Chemical Physics, 2011, 13, pp.13985-13991. ⟨10.1039/c1cp20939f⟩

Article dans une revue hal-00915267v1

Excited-state intramolecular proton transfer reaction modulated by low-frequency vibrations: An effect of an electron-donating substituent on the dually fluorescent bis-benzoxazole

J. Sepioł , A. Grabowska , P. Borowicz , M. Kijak , Michel Broquier et al.

The Journal of Chemical Physics, 2011, 135 (3), pp.034307. ⟨10.1063/1.3609759⟩

Article dans une revue hal-00915272v1

Chiral recognition in cinchona alkaloid protonated dimers: Mass spectrometry and UV photodissociation studies

Debora Scuderi , Philippe Maître , Flaminia Rondino , Katia Le Barbu-Debus , Valeria Lepère et al.

Journal of Physical Chemistry A, 2010, 114 (9), pp.3306-3312. ⟨10.1021/jp9094497⟩

Article dans une revue hal-03617120v1

Chiral recognition in jet-cooled complexes of (1R,2S)-(+)-cis-1-amino-2- indanol and methyl lactate: On the importance of the CH⋯π interaction

Katia Le Barbu-Debus , Michel Broquier , Ahmed Mahjoub , Anne Zehnacker-Rentien

Physical Chemistry Chemical Physics, 2009, ⟨10.1039/b906834a⟩

Article dans une revue istex hal-03617125v1

Chiral recognition in jet-cooled complexes of (1R,2S)-(+)-cis-1-amino-2-indanol and methyl lactate: on the importance of the CH...pi interaction.

K. Le Barbu-Debus , M. Broquier , A. Mahjoub , A. Zehnacker-Rentien

Physical Chemistry Chemical Physics, 2009, 11 (35), pp.7589-98

Article dans une revue hal-00915290v1

Chiral recognition between alpha-hydroxylesters: a double-resonance IR/UV study of the complexes of methyl mandelate with methyl glycolate and methyl lactate.

Katia Le Barbu-Debus , Michel Broquier , Ahmed Mahjoub , Anne Zehnacker-Rentien

Journal of Physical Chemistry A, 2008, 112 (40), pp.9731-41. ⟨10.1021/jp711546p⟩

Article dans une revue istex hal-00915259v1

Localization of electronic and vibrational energy in the jet-cooled m-cyanophenol/o-cyanophenol dimer: laser induced fluorescence and fluorescence-dip IR spectra

K. Le Barbu-Debus , M. Broquier , F. Lahmani , A. Zehnacker-Rentien

Molecular Physics, 2005, 103 (11-12), pp.1655-1662

Article dans une revue hal-00915305v1

Electronic and vibrational spectroscopy of jet-cooled m-cyanophenol and its dimer: laser-induced fluorescence and fluorescence-dip IR spectra in the S0 and S1 states

N. Seurre , K. Le Barbu-Debus , F. Lahmani , A. Zehnacker-Rentien , Jerzy Sepioł

Chemical Physics, 2003, 295 (1), pp.21-33. ⟨10.1016/J.CHEMPHYS.2003.07.009⟩

Article dans une revue istex hal-02305447v1

Electronic and vibrational spectroscopy of jet-cooled complexes of o-cyanophenol

F. Lahmani , A. Zehnacker-Rentien , M. Broquier

Journal of Photochemistry and Photobiology A: Chemistry, 2002, 154 (1), pp.41-52. ⟨10.1016/S1010-6030(02)00312-X⟩

Article dans une revue istex hal-00915335v1

The o-cyanophenol dimer as studied by laser-induced fluorescence and IR fluorescence dip spectroscopy: a study of a symmetrical double hydrogen bond

F. Lahmani , M. Broquier , A. Zehnacker-Rentien

Chemical Physics Letters, 2002, 354 (3-4), pp.337-348. ⟨10.1016/S0009-2614(02)00134-3⟩

Article dans une revue istex hal-00915334v1

Formation of Hydrogen-Bonded Structures in Jet-Cooled Complexes of a Chiral Chromophore Studied by IR/UV Double Resonance Spectroscopy: Diastereoisomeric Complexes of (±)-2-Naphthyl-1-ethanol with (±)-2-Amino-1-propanol

K. Le Barbu , F. Lahmani , A. Zehnacker-Rentien

Journal of Physical Chemistry A, 2002, 106 (26), pp.6271-6278. ⟨10.1021/JP014673V⟩

Article dans une revue istex hal-02305437v1

Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes

K. Le Barbu , A. Zehnacker-Rentien , F. Lahmani , M. Mons , F. Piuzzi et al.

Chirality, 2001, 13 (10), pp.715-721. ⟨10.1002/chir.10016⟩

Article dans une revue istex hal-00144704v1

Hydrogen-Bonded Bridges in Complexes of o -Cyanophenol: Laser-Induced Fluorescence and IR/UV Double-Resonance Studies

M. Broquier , F. Lahmani , A. Zehnacker-Rentien , V. Brenner , Ph. Millié et al.

Journal of Physical Chemistry A, 2001, 105 (28), pp.6841-6850. ⟨10.1021/jp010218n⟩

Article dans une revue istex hal-00915341v1

Hydrogen-Bonded bridges in Complexes of o-Cyanophenol : Laser-Induced Fluorescence and IR/UV Double-Resonance Studies

V. Brenner , P. Millie , M. Broquier , F. Lahmani , A. Zehnacker-Rentien et al.

Journal of Physical Chemistry A, 2001, 105, pp.6841-6850. ⟨10.1021/jp010218n⟩

Article dans une revue istex hal-00136550v1

IR-UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes

K. Le Barbu , F. Lahmani , M. Mons , M. Broquier , A. Zehnacker

Physical Chemistry Chemical Physics, 2001, 3 (21), pp.4684-4688. ⟨10.1039/b105036m⟩

Article dans une revue istex hal-00915440v1

IR-UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes

K. Le Barbu , F. Lahmani , M. Mons , M. Broquier , A. Zehnacker-Rentien

Physical Chemistry Chemical Physics, 2001, 3, pp.4684-4688. ⟨10.1039/b105036m⟩

Article dans une revue istex hal-00144687v1

An Experimental and Theoretical Study of Jet-Cooled Complexes of Chiral Molecules: The Role of Dispersive Forces in Chiral Discrimination

K. Le Barbu , V. Brenner , Ph. Millié , F. Lahmani , A. Zehnacker-Rentien

Journal of Physical Chemistry A, 1998, 102 (1), pp.128-137. ⟨10.1021/JP972465Q⟩

Article dans une revue istex hal-02305345v1
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Chirality Effects in Jet-Cooled Cyclic Dipeptides

Ariel Pérez-Mellor , Anne Zehnacker

Takayuki Ebata; Masaaki Fujii. Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters, Springer Singapore, pp.63-87, 2019, 978-981-13-9370-9. ⟨10.1007/978-981-13-9371-6_3⟩

Chapitre d'ouvrage hal-03324659v2

Conformer-Selective Photoelectron Circular Dichroism

Etienne Rouquet , Jennifer Dupont , Gustavo A Garcia , Laurent Nahon , Valéria Lepère et al.

The 9th Asian and Oceanian Spectroscopy Conference [AOSC-2025], Naresh Patwari Ganpathi, Sep 2025, Goa, India

Communication dans un congrès hal-05340454v1

Conformer-selective photoelectron circular dichroism

Etienne Rouquet , Jennifer Dupont , Valéria Lepère , Gustavo A Garcia , Laurent Nahon et al.

Dynamics of Electrons in Atomic and Molecular Nanoclusters, Klavs Hansen, Vitaly Kresin, May 2025, Erice, Italy

Communication dans un congrès hal-05340435v1

Lumière sur la chiralité : Spectroscopie laser de molécules chirales

Anne Zehnacker-Rentien

Journées de Spectroscopie Moléculaires JSM 2025, Hélène Fleurbaey, Samir Kassi, Didier Mondelain, Mar 2025, Grenoble, France

Communication dans un congrès hal-05340351v1

Non-local aspects of chirality

Anne Zehnacker

Journées André Collet de la Chiralité, Ivo Rietveld, G. Coquerel, Jun 2025, Rouen, France

Communication dans un congrès hal-05340418v1

Structure of Flexible Chiral Molecules and Unconventional Solvents by Vibrational Circular Dichroism Spectroscopyconventional Solvents

Anne Zehnacker

VOA8th (8th Conference onVibrational Optical Activity), Christian Merten, Aug 2024, Bochum (RUB), Germany

Communication dans un congrès hal-04732971v1

Conformer-selective Photoelectron Circular Dichroism

Anne Zehnacker

“Molecular Recognition Mechanism between Flexible Molecules”, Masaaki Fujii; Shun-ichi Ishiuchi, Jul 2024, Tokyo (Japan), Japan

Communication dans un congrès hal-04732987v1

Vibrational Circular Dichroism of Strongly Interacting Systems

Anne Zehnacker

VOA 2024, Christian Merten, Aug 2024, Bochum, Germany

Communication dans un congrès hal-04965886v1

Conformer-Selective Spectroscopy of Chiral Molecules

Anne Zehnacker

Fritz Haber Molecular Physics Department Workshop, Sandra Eibenberger-Arias, Nov 2024, Tegernsee, Germany

Communication dans un congrès hal-04966009v1

Conformer-selective spectroscopic studies of chiral molecules: from structure to chiroptical spectroscopy

Anne Zehnacker

7th International Symposium of JSPS Core-to-Core Program on “Molecular Recognition Mechanism between Flexible Molecules”, Shun-ichi Ishiuchi, Jul 2024, Tokyo, Japan

Communication dans un congrès hal-04965926v1

Induced Photoelectron Circular Dichroism onto an achiral chromophore

Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Madhusree Roy-Chowdhury , Laurent Nahon et al.

Core-2-Core Symposium, Oct 2023, Berlin (Germany), Germany

Communication dans un congrès hal-04346183v1

Vibrational Circular Dichroism as a probe of the structure of crystals

Titouan Martenot , Sascha Jähnigen , Rodolphe Vuilleumier , Katia Le Barbu-Debus , Anne Zehnacker

Congrès Général de la Société Française de Physique, Jul 2023, Paris, France

Communication dans un congrès hal-04346187v1

Induced Photoelectron Circular Dichroism (PECD)

Etienne Rouquet , Valéria Lepère , Anne Zehnacker , Gustavo A Garcia , Laurent Nahon

Workshop Photoemission of diluted samples, Sep 2023, Aussois, France

Communication dans un congrès hal-04332064v1

Dichroïsme circulaire de photoelectron (PECD) spécifique en conformère à deux photons du 1-indanol

Etienne Rouquet , Gustavo A Garcia , Laurent Nahon , Valéria Lepère , Anne Zehnacker

26ème Congrès général de la SFP, Jul 2023, Paris, France

Communication dans un congrès hal-04332058v1

Spectroscopy of chiral molecules

Etienne Rouquet , Valéria Lepère , Jennifer Dupont , Katia Le Barbu-Debus , Keisuke Hirata et al.

Réunion du GDR Chirafun, Nov 2023, Rennes (FRA), France

Communication dans un congrès hal-04346184v1

Chirality Effects in the Structure and Reactivity of Biomolecular Ions and Complexes

Jennifer Dupont , Etienne Rouquet , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon Koki Yoshizawa et al.

Gordon Conference "Gaseous Ions: Structures, Energetics and Reactions", Feb 2023, Ventura (CA), United States

Communication dans un congrès hal-04346180v1

Conformer-specific photoelectron circular dichroism

Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon et al.

Photoemission of diluted sample, Sep 2023, Aussois (Savoie), France

Communication dans un congrès hal-04346181v1

Induced Photoelectron Circular Dichroism

Etienne Rouquet , Gustavo A Garcia , Laurent Nahon , Valéria Lepère , Anne Zehnacker

4th International Symposium of JSPS Core-to-core program on “Molecular Recognition Mechanism between Flexible Molecules”, Jan 2023, Orsay, France

Communication dans un congrès hal-04332049v1

Two-photon conformer-specific Photoelectron Circular Dichroism (PECD) of 1-indanol

Etienne Rouquet , Valéria Lepère , Anne Zehnacker

5th International Symposium of JSPS Core-to-core program on “Molecular Recognition Mechanism between Flexible Molecules”, Oct 2023, Berlin, Germany

Communication dans un congrès hal-04332084v1

In the wake of molecular photophysics : a spectroscopic journey

Anne Zehnacker

Photons, Molécules et la Vie : un Hommage à Sydney Leach, Sep 2022, Meudon Bellevue, France

Communication dans un congrès hal-04337495v1

Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol

Jennifer Dupont , Valeria Lepere , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon et al.

Soleil Users’Meeting 2022, Jan 2022, Saint-Aubin SOLEIL, France

Communication dans un congrès hal-04327129v1

Spectroscopic studies of chirality

Jennifer Dupont , Ariel Pérez-Mellor , Katia Le Barbu-Debus , Valéria Lepère , Sebastian Hartweg et al.

International Symposium on Molecular Spectroscopy, Jun 2022, Urbana (Illinois), United States

Communication dans un congrès hal-04333551v1

Chiroptical spectroscopy of flexible molecules at low and room temperature

Jennifer Dupont , Masato Tamura , Tsubasa Sekiguchi , Shun-Ichi Ishiuchi , Masaaki Fujii et al.

Chemistry and Physics at low temperature (CPLT 2022), Jul 2022, Visegrád, Hungary, Hungary

Communication dans un congrès hal-04342400v1

Spectroscopy and chirality: what neighbours share

Anne Zehnacker-Rentien

40 years of spectroscopy, Sep 2022, Orsay, France

Communication dans un congrès hal-04337481v1

What circular dichroism spectroscopy teaches us about solvation

Sascha Jähnigen , Jessica Bowles , Jennifer Dupont , Sébastien Hartweg , Madhusree Roy Chowdhury et al.

Rencontres du GDR Solvate, May 2022, Paris, France

Communication dans un congrès hal-04337471v1

Conformation isomerism of 1-indanol probe by photoelectron circular dichroism

Valéria Lepère , Jennifer Dupont , Anne Zehnacker , Laurent Nahon , Gustavo A Garcia et al.

Journées annuelles SPEP'2022, Jun 2022, Ens Paris-Saclay, Cachan, France

Communication dans un congrès hal-04381610v1

Computation of Vibrational Circular Dichroism in the Periodic Gauge

Sascha Jähnigen , Jessica Bowles , Carine Clavaguera , Florent Calvo , Anne Zehnacker et al.

7th International Conference on Vibrational Optical Activity, Aug 2022, Edmonton, Canada

Communication dans un congrès hal-04337537v1

Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study

Mori Yuta , Pérez-Mellor Ariel , Katia Le Barbu-Debus , Hirata Keisuke , Valéria Lepère et al.

French Swiss Photochemistry Symposium, Jan 2021, Genève (on line), Switzerland

Communication dans un congrès hal-04332177v1

Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study

Tamura M. , Mori Y. , Sekiguchi T. , Ariel Pérez-Mellor , Alata I. et al.

Rencontres de chimie physique 2021, Sep 2021, Sète (France), France

Communication dans un congrès hal-04332211v1

Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol

Jennifer Dupont , Valeria Lepere , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon et al.

GDR Chirafun, Apr 2021, Paris (en ligne), France

Communication dans un congrès hal-04327168v1

Probing the Structure of Chiral Molecules and their Interactions: from Laser Spectroscopy to Circular Dichroism

Katia Le Barbu-Debus , Masaaki Fujii , Shun-Ichi Ishiuchi , Keisuke Hirata , Arne Scherrer et al.

Réunion CECAM Benchmarking of electronic structure methods for non-covalent interactions, Nov 2021, Marne La Vallée, France

Communication dans un congrès hal-04335850v1

Study of (solid) state biomolecules by (vibrational) circular dichroism” au symposium

Sascha Jähnigen , Jennifer Dupont , Rodolphe Vuilleumier , Sebastian Hartweg , Gustavo Garcia et al.

Pacifichem Symposium“New Frontier in Fundamental Science of Molecular Chirality, Dec 2021, Honolulu (Online), United States

Communication dans un congrès hal-04335975v1

Chirality effects in the structure and fragmentation of biomolecular clusters au symposium

Ariel Pérez-Mellor , Riccardo Spezzia , Masaaki Fujii , Shun Ichi Ishiuchi , Keisuke Hirata et al.

Pacifichem Symposium““Structure and function of complex molecular clusters - challenges in theory and experiment”, Dec 2021, Honolulu (Online), United States

Communication dans un congrès hal-04336028v1

Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol

Jennifer Dupont , Valéria Lepère , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon et al.

GDR EMIE – Atelier thématique : Grands Instruments pour la physico-chimie moléculaire, Oct 2021, Paris (en ligne), France

Communication dans un congrès hal-04327181v1

Chiral recognition in the gas phase

Anne Zehnacker-Rentien , Masato Tamura , Yuta Mori , Tsubasa Sekiguchi , Keisuke Hirata et al.

World Reseach Hub Initiative Symposium, Nov 2020, Tokyo (Online), Japan

Communication dans un congrès hal-04332158v1

Etude de dicétopipérazines par spectroscopies

Jennifer Dupont , Valeria Lepere , Anne Zehnacker

PhotOnline, Oct 2020, Paris (en ligne), France

Communication dans un congrès hal-04327190v1

Flexible chiral molecules: from supersonic expansions to solid-state spectroscopy

Ariel Pérez-Mellor , Aude Bouchet , Valérie Declerck , David J. Aitken , Mohammad Alauddin et al.

Ecole d’été du Collaborative Research Centre 1319 "ELCH" (Extreme Light for sensing and driving molecular CHirality) de l’Université de Kassel, Sep 2019, Bad Arolsen, Germany

Communication dans un congrès hal-04335692v1

Vibrational circular dichroism study of the solid-state organisation of ring-containing peptides

Ariel Pérez-Mellor , Valérie Declerck , David J. Aitken , Anne Zehnacker

Chirality 2019, Jul 2019, Bordeaux (France), France

Communication dans un congrès hal-04346186v1

Discrimination chirale au sein de dicétopipérazines

Jennifer Dupont , Yassin El Koulali , Ariel F Perez-Mellor , Feriel Ben Nasr , Ivan Alata et al.

Rencontres de Chimie Physique, Oct 2019, Biarritz (France), France

Communication dans un congrès hal-04327233v1

Clustering of Flexible Chiral Molecules: Supersonic Expansion vs. Solid-State spectroscopy

Ariel Pérez-Mellor , Valérie Declerck , David J. Aitken , Mohammad Alauddin , Eric Gloaguen et al.

International Symposium Frontiers in Cluster Science: Structure and Dynamics, Otto Dopfer, Nov 2019, Berlin (DE), Germany

Communication dans un congrès hal-04335784v1

Stereoselective molecular interactions and clustering in isolated biomolecules

Ariel Pérez-Mellor , Feriel BenNasr , Ivan Alata , Valéria Lepère , Katia Le Barbu-Debus et al.

Molecular Interactions and Dynamics Gordon Research Conference, Jul 2018, Stonehill College in Easton, MA, United States

Communication dans un congrès hal-04333560v1

Chirality and Environment effects on the photofragmentation of cinchona alkaloids

Feriel Ben Nasr , Ivan Alata , Aude Bouchet , D. Scuderi , Valéria Lepère et al.

Stereodynamics 2018, Sep 2018, Arosa, Switzerland

Communication dans un congrès hal-04333562v1

Stereochemistry-dependent Hydrogen Bonds Stabilise Stacked Conformations in Jet-Cooled Cyclic Dipeptides: (LD) vs. (LL) cyclo Tyrosine Tyrosine

Feriel BenNasr , Ivan Alata , Nejmeddine Jaïdane , Ariel Pérez-Mellor , Valéria Lepère et al.

Quantum Effects in Small Molecular Systems Faraday Discussion, Sep 2018, Edinburgh (Ecosse), United Kingdom

Communication dans un congrès hal-04333563v1

The Role of Chirality in the Conformational Preference of Dipeptides

Ivan Alata , Feriel BenNasr , Ariel F Pérez-Mellor , Valéria Lepère , Katia Le Barbu-Debus et al.

Conference of the American Chemical Society, Mar 2018, La nouvelle Orléans, United States

Communication dans un congrès hal-04333556v1

Conformational study of DL & LL-diphenylalanine molecule in the gas-phase

Ariel F Perez-Mellor , Ivan Alata , Valeria Lepere , Anne Zehnacker

Workshop on Atomic and Molecular Physics (WAMP), Jun 2015, Varadero, Cuba

Communication dans un congrès hal-04327140v1

Influence de la chiralité au sein de poly-phénylalanines

Valeria Lepere , Katia Le Barbu-Debus , Anne Zehnacker , Ivan Alata , Ariel F Perez-Mellor

GDR EMIE, Jun 2015, Biarritz (France), France

Communication dans un congrès hal-04327247v1