Anne Zehnacker

108

Documents

Présentation

Publications

	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 ChemPhysChem, 2024, e202300982, ⟨10.1002/cphc.202300982⟩ Article dans une revue hal-04489317v1
	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
	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 Physical Chemistry Chemical Physics, 2023, 25 (15), pp.10427-10439. ⟨10.1039/d3cp00160a⟩ Article dans une revue hal-04239308v1
	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
	The first HyDRA challenge for computational vibrational spectroscopy Taija L Fischer , Margarethe Bödecker , Sophie M Schweer , Jennifer Dupont , Valéria Lepère Physical Chemistry Chemical Physics, 2023, 25 (33), pp.22089-22102. ⟨10.1039/D3CP01216F⟩ Article dans une revue hal-04239413v1
	Induced photoelectron circular dichroism onto an achiral chromophore Etienne Rouquet , Madhusree Roy Chowdhury , Gustavo A Garcia , Laurent Nahon , Jennifer Dupont Nature Communications, 2023, 14 (1), pp.6290. ⟨10.1038/s41467-023-42002-1⟩ Article dans une revue hal-04239788v1
	Lumière sur les molécules chirales Anne Zehnacker L'Actualité Chimique, 2023 Article dans une revue hal-04239473v1
	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 Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩ Article dans une revue hal-03923111v1
	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-03736167v1
	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
	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
	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, pp.19783 - 19791. ⟨10.1039/d2cp03110h⟩ Article dans une revue hal-03788936v1
	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
	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
	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 Journal of Physical Chemistry Letters, 2022, 13 (10), pp.2313-2320. ⟨10.1021/acs.jpclett.2c00074⟩ Article dans une revue hal-03775845v1
	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
	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
	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
	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 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
	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 Amino Acids, 2021, 53 (4), pp.621-633. ⟨10.1007/s00726-021-02967-z⟩ Article dans une revue hal-03186714v1
	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
	Glycoside scutellarin enhanced CD-MOF anchoring for laryngeal delivery Marianna Porcino , Charlotte Martineau-Corcos , Weifeng Zhu , Gilles Patriarche , Christine Péchoux Acta Pharmaceutica Sinica B, 2020, 10 (9), pp.1709-1718. ⟨10.1016/j.apsb.2020.04.015⟩ Article dans une revue hal-03095979v1
	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 Physical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩ Article dans une revue hal-03014777v1
	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 Chemical Science, 2020, 11, pp.9191-9197. ⟨10.1039/D0SC03339A⟩ Article dans une revue hal-02917912v1
	Efficient incorporation and protection of lansoprazole in cyclodextrin metal-organic frameworks Xue Li , Marianna Porcino , Charlotte Martineau-Corcos , Tao Guo , Ting Xiong International Journal of Pharmaceutics, 2020, 585, ⟨10.1016/j.ijpharm.2020.119442⟩ Article dans une revue hal-02844079v1
	The reduced cohesion of homoconfigurational 1,2-diols Beppo Hartwig , Manuel Lange , Anja Poblotzki , Robert Medel , Anne Zehnacker Physical Chemistry Chemical Physics, 2020, 22 (3), pp.1122-1136. ⟨10.1039/c9cp04943f⟩ Article dans une revue hal-02473832v1
	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
	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
	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 Physical Chemistry Chemical Physics, 2019, 21 (28), pp.15439-15451. ⟨10.1039/c9cp01518c⟩ Article dans une revue hal-02347956v1
	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
	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 Chirality, 2019, 31 (8), pp.547-560. ⟨10.1002/chir.23083⟩ Article dans une revue hal-02347980v1
	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
	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 Faraday Discussions, 2018, 212, pp.399-419. ⟨10.1039/c8fd00079d⟩ Article dans une revue hal-02070257v1
	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 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 Faraday Discussions, 2018, 212, pp.569-601. ⟨10.1039/C8FD90053A⟩ Article dans une revue hal-02070258v1
	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 Physical Chemistry Chemical Physics, 2018, 20 (18), pp.12430-12443. ⟨10.1039/c8cp00787j⟩ Article dans une revue hal-02070263v1
	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
	Molecules in confinement in liquid solvents: general discussion Loren Ban , Joël Bowman , Stephen Bradforth , Gilberte Chambaud , Martin Dracinsky Faraday Discussions, 2018, 212, pp.383-397. ⟨10.1039/C8FD90051E⟩ Article dans une revue hal-02070256v1
	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 Angewandte Chemie International Edition, 2018, 57 (20), pp.5626-5629. ⟨10.1002/anie.201712976⟩ Article dans une revue hal-02070265v1
	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 Journal of Chemical Physics, 2018, 149 (13), pp.134307. ⟨10.1063/1.5048843⟩ Article dans une revue hal-02070259v1
	Quantum dynamics of isolated molecules: general discussion Dmitri Babikov , David Benoit , Joël Bowman , Timothy Burd , David Clary Faraday Discussions, 2018, 212, pp.281-306. ⟨10.1039/C8FD90052C⟩ Article dans une revue hal-02070255v1
	Precise characterisation of isolated molecules: general discussion Zlatko Bacic , David Benoit , Matthieu Besemer , Joël Bowman , Stephen Bradforth Faraday Discussions, 2018, 212, pp.137-155. ⟨10.1039/C8FD90050G⟩ Article dans une revue hal-02070254v1
	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 Journal of Physical Chemistry A, 2017, 121 (38), pp.7130-7138. ⟨10.1021/acs.jpca.7b06159⟩ Article dans une revue hal-02348003v1
	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
	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 Journal of Chemical Physics, 2016, 145 (22), pp.224313. ⟨10.1063/1.4972016⟩ Article dans une revue hal-01468104v1
	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 Physical Chemistry Chemical Physics, 2016, 18 (3), pp.1807-18017. ⟨10.1039/c5cp06768e⟩ Article dans une revue hal-01356198v1
	Photofragmentation mechanisms in protonated chiral cinchona alkaloids Sunil Kumar , Bruno Lucas , Jacqueline Fayeton , Debora Scuderi , Ivan Alata 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 Chemistry - A European Journal, 2015, 21 (46), pp.16479-16493 ⟨10.1002/chem.201501794⟩ Article dans une revue 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 Physical Chemistry Chemical Physics, 2014, 16, pp.9876-9891. ⟨10.1039/C3CP52774C⟩ Article dans une revue hal-01131254v1
	Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides† Eric Gloaguen , V. Brenner , M. Alauddin , B. Tardivel , M. Mons Angewandte Chemie International Edition, 2014, 53 (50), pp.13756-13759. ⟨10.1002/anie.201407801⟩ Article dans une revue hal-01131234v1
	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 hal-01080713v1
	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 Journal of Physical Chemistry A, 2012, 116 (32), pp.8334-8344. ⟨10.1021/jp3047888⟩ Article dans une revue hal-00755557v1
	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 Journal of Chemical Physics, 2011, 135 (3), pp.034307. ⟨10.1063/1.3609759⟩ Article dans une revue hal-00915272v1
	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
	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 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...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 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 hal-03617125v1
	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 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 hal-02305447v1
	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 hal-02305437v1
	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 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 hal-00915334v1
	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 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 hal-00144687v1
	Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes K. Le Barbu , A. Zehnacker-Rentien , F. Lahmani , M. Mons , F. Piuzzi Chirality, 2001, 13 (10), pp.715-721. ⟨10.1002/chir.10016⟩ Article dans une revue 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 Journal of Physical Chemistry A, 2001, 105 (28), pp.6841-6850. ⟨10.1021/jp010218n⟩ Article dans une revue 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 Journal of Physical Chemistry A, 2001, 105, pp.6841-6850. ⟨10.1021/jp010218n⟩ Article dans une revue hal-00136550v1
	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 hal-02305345v1

	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

	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
	Conformer-specific photoelectron circular dichroism Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon Photoemission of diluted sample, Sep 2023, Aussois (Savoie), France Communication dans un congrès hal-04346181v1
	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
	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 onto an achiral chromophore Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Madhusree Roy-Chowdhury , Laurent Nahon Core-2-Core Symposium, Oct 2023, Berlin (Germany), Germany Communication dans un congrès hal-04346183v1
	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
	Spectroscopy of chiral molecules Etienne Rouquet , Valéria Lepère , Jennifer Dupont , Katia Le Barbu-Debus , Keisuke Hirata Réunion du GDR Chirafun, Nov 2023, Rennes (FRA), France Communication dans un congrès hal-04346184v1
	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
	Chirality Effects in the Structure and Reactivity of Biomolecular Ions and Complexes Jennifer Dupont , Etienne Rouquet , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon Koki Yoshizawa Gordon Conference "Gaseous Ions: Structures, Energetics and Reactions", Feb 2023, Ventura (CA), United States Communication dans un congrès hal-04346180v1
	Computation of Vibrational Circular Dichroism in the Periodic Gauge Sascha Jähnigen , Jessica Bowles , Carine Clavaguera , Florent Calvo , Anne Zehnacker 7th International Conference on Vibrational Optical Activity, Aug 2022, Edmonton, Canada Communication dans un congrès hal-04337537v1
	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
	Conformation isomerism of 1-indanol probe by photoelectron circular dichroism Valéria Lepère , Jennifer Dupont , Anne Zehnacker , Laurent Nahon , Gustavo A Garcia Journées annuelles SPEP'2022, Jun 2022, Ens Paris-Saclay, Cachan, France Communication dans un congrès hal-04381610v1
	What circular dichroism spectroscopy teaches us about solvation Sascha Jähnigen , Jessica Bowles , Jennifer Dupont , Sébastien Hartweg , Madhusree Roy Chowdhury Rencontres du GDR Solvate, May 2022, Paris, France Communication dans un congrès hal-04337471v1
	Chiroptical spectroscopy of flexible molecules at low and room temperature Jennifer Dupont , Masato Tamura , Tsubasa Sekiguchi , Shun-Ichi Ishiuchi , Masaaki Fujii 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
	Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol Jennifer Dupont , Valeria Lepere , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon 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 International Symposium on Molecular Spectroscopy, Jun 2022, Urbana (Illinois), United States Communication dans un congrès hal-04333551v1
	Study of (solid) state biomolecules by (vibrational) circular dichroism” au symposium Sascha Jähnigen , Jennifer Dupont , Rodolphe Vuilleumier , Sebastian Hartweg , Gustavo Garcia Pacifichem Symposium“New Frontier in Fundamental Science of Molecular Chirality, Dec 2021, Honolulu (Online), United States Communication dans un congrès hal-04335975v1
	Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol Jennifer Dupont , Valéria Lepère , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon GDR EMIE – Atelier thématique : Grands Instruments pour la physico-chimie moléculaire, Oct 2021, Paris (en ligne), France Communication dans un congrès hal-04327181v1
	Chirality effects in the structure and fragmentation of biomolecular clusters au symposium Ariel Pérez-Mellor , Riccardo Spezzia , Masaaki Fujii , Shun Ichi Ishiuchi , Keisuke Hirata 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
	Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study Tamura M. , Mori Y. , Sekiguchi T. , Ariel Pérez-Mellor , Alata I. Rencontres de chimie physique 2021, Sep 2021, Sète (France), France Communication dans un congrès hal-04332211v1
	Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study Mori Yuta , Pérez-Mellor Ariel , Katia Le Barbu-Debus , Hirata Keisuke , Valéria Lepère French Swiss Photochemistry Symposium, Jan 2021, Genève (on line), Switzerland Communication dans un congrès hal-04332177v1
	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 Réunion CECAM Benchmarking of electronic structure methods for non-covalent interactions, Nov 2021, Marne La Vallée, France Communication dans un congrès hal-04335850v1
	Photoelectron circular dichroism as a probe for conformational isomerism in 1-indanol Jennifer Dupont , Valeria Lepere , Anne Zehnacker , Sebastian Hartweg , Laurent Nahon GDR Chirafun, Apr 2021, Paris (en ligne), France Communication dans un congrès hal-04327168v1
	Etude de dicétopipérazines par spectroscopies Jennifer Dupont , Valeria Lepere , Anne Zehnacker PhotOnline, Oct 2020, Paris (en ligne), France Communication dans un congrès hal-04327190v1
	Chiral recognition in the gas phase Anne Zehnacker-Rentien , Masato Tamura , Yuta Mori , Tsubasa Sekiguchi , Keisuke Hirata World Reseach Hub Initiative Symposium, Nov 2020, Tokyo (Online), Japan Communication dans un congrès hal-04332158v1
	Clustering of Flexible Chiral Molecules: Supersonic Expansion vs. Solid-State spectroscopy Ariel Pérez-Mellor , Valérie Declerck , David J. Aitken , Mohammad Alauddin , Eric Gloaguen International Symposium Frontiers in Cluster Science: Structure and Dynamics, Otto Dopfer, Nov 2019, Berlin (DE), Germany Communication dans un congrès hal-04335784v1
	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 Rencontres de Chimie Physique, Oct 2019, Biarritz (France), France Communication dans un congrès hal-04327233v1
	Flexible chiral molecules: from supersonic expansions to solid-state spectroscopy Ariel Pérez-Mellor , Aude Bouchet , Valérie Declerck , David J. Aitken , Mohammad Alauddin 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
	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 Quantum Effects in Small Molecular Systems Faraday Discussion, Sep 2018, Edinburgh (Ecosse), United Kingdom Communication dans un congrès hal-04333563v1
	Stereoselective molecular interactions and clustering in isolated biomolecules Ariel Pérez-Mellor , Feriel BenNasr , Ivan Alata , Valéria Lepère , Katia Le Barbu-Debus 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 Stereodynamics 2018, Sep 2018, Arosa, Switzerland Communication dans un congrès hal-04333562v1
	The Role of Chirality in the Conformational Preference of Dipeptides Ivan Alata , Feriel BenNasr , Ariel F Pérez-Mellor , Valéria Lepère , Katia Le Barbu-Debus 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

	Setting up the HyDRA blind challenge for the microhydration of organic molecules Taija L Fischer , Margarethe Bödecker , Anne Zehnacker , Ricardo A Mata , Martin A Suhm 2021 Pré-publication, Document de travail hal-03423247v1

Anne Zehnacker

Présentation

Publications

Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases

Benchmark experiments for numerical quantum chemistry

Subtle hydrogen bond preference and dual Franck–Condon activity – the interesting pairing of 2-naphthol with anisole

Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr-Tyr)

The first HyDRA challenge for computational vibrational spectroscopy

Induced photoelectron circular dichroism onto an achiral chromophore

Lumière sur les molécules chirales

Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model

Setting up the HyDRA blind challenge for the microhydration of organic molecules

How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State

How Symmetry Influences the Dissociation of Protonated Cyclic Peptides

How change in chirality prevents β-amyloid type interaction in a protonated cyclic dipeptide dimer

Do Stereochemical Effects Overcome a Charge-induced Perturbation in Isolated Protonated cyclo(Tyr-Tyr)?

Jet-cooled laser spectroscopy and solid-state vibrational circular dichroism of the cyclo-(Tyr-Phe) diketopiperazine dipeptide

Photoelectron Circular Dichroism as a Signature of Subtle Conformational Changes: The Case of Ring Inversion in 1-Indanol

Stereospecific Collision-Induced Dissociation and Vibrational Spectroscopy of Protonated Cyclo (Tyr-Pro)

Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge

Competition between inter and intramolecular hydrogen bond evidenced by vibrational circular dichroism spectroscopy: The case of (1S,2R)‐(−)‐cis‐1‐amino‐2‐indanol

Structure and Collision-Induced Dissociation of the protonated cyclo His-Phe Dipeptide: Mechanistic Studies and Stereochemical Effects

A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine

Solid‐state synthesis of cyclo LD‐diphenylalanine: A chiral phase built from achiral subunits

Glycoside scutellarin enhanced CD-MOF anchoring for laryngeal delivery

Assessing Cluster Models of Solvation for the Description of Vibrational Circular Dichroism Spectra: Synergy between Static and Dynamic Approaches

Conformation control through concurrent N–H⋯S and N–H⋯O=C hydrogen bonding and hyperconjugation effects

Efficient incorporation and protection of lansoprazole in cyclodextrin metal-organic frameworks

The reduced cohesion of homoconfigurational 1,2-diols

Chiral discrimination between tyrosine and -cyclodextrin revealed by cryogenic ion trap infrared spectroscopy

Homochiral vs. heterochiral sodium core dimers of tartaric acid esters: A mass spectrometry and vibrational spectroscopy study

Effects of complexation with sulfuric acid on the photodissociation of protonated Cinchona alkaloids in the gas phase

Can the Partial Peptide SIVSF of β 2 -Adrenergic Receptor Recognize Chirality of Epinephrine Neurotransmitter?

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

Conformational Study of the Jet-Cooled Diketopiperazine Peptide Cyclo Tyrosyl-Prolyl

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

Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of ( S )-1-indanol

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

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

Chirality effects in the structures of jet-cooled bichromophoric dipeptides

Molecules in confinement in liquid solvents: general discussion

Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach

Supersonic jet spectroscopy of parent hemiporphycene: Structural assignment and vibrational analysis for S 0 and S 1 electronic states

Quantum dynamics of isolated molecules: general discussion

Precise characterisation of isolated molecules: general discussion

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

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

Competition between inter-and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer

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

Photofragmentation mechanisms in protonated chiral cinchona alkaloids

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

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

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

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

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

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

The role of weak hydrogen bonds in chiral recognition

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

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

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.

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

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

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

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

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

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

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

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

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

Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes

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

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

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

Chirality Effects in Jet-Cooled Cyclic Dipeptides

Induced Photoelectron Circular Dichroism

Conformer-specific photoelectron circular dichroism

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

Vibrational Circular Dichroism as a probe of the structure of crystals

Induced Photoelectron Circular Dichroism onto an achiral chromophore

Induced Photoelectron Circular Dichroism (PECD)