Accéder directement au contenu
AZ

Anne Zehnacker

15
Documents

Présentation

Publications

48524
Image document

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
Image document

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
Image document

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
Image document

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
Image document

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
Image document

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

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

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

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

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

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

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

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

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

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