| Chiral crystal packing induces enhancement of vibrational circular dichroism S Jähnigen, A Scherrer, R Vuilleumier, D Sebastiani Angewandte Chemie International Edition 57 (40), 13344-13348, 2018 | 72 | 2018 |
| Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches K Le Barbu-Debus, J Bowles, S Jähnigen, C Clavaguéra, F Calvo, ... Physical Chemistry Chemical Physics 22 (45), 26047-26068, 2020 | 40 | 2020 |
| Computation of solid-state vibrational circular dichroism in the periodic gauge S Jahnigen, A Zehnacker, R Vuilleumier The Journal of Physical Chemistry Letters 12 (30), 7213-7220, 2021 | 37 | 2021 |
| Vibrational circular dichroism spectroscopy of chiral molecular crystals: insights from theory S Jähnigen Angewandte Chemie International Edition 62 (41), e202303595, 2023 | 27 | 2023 |
| Quantum cluster equilibrium model of N-methylformamide–water binary mixtures M von Domaros, S Jähnigen, J Friedrich, B Kirchner The Journal of Chemical Physics 144 (6), 2016 | 26 | 2016 |
| Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy LK Scarbath-Evers, S Jähnigen, H Elgabarty, C Song, R Narikawa, ... Physical Chemistry Chemical Physics 19 (21), 13882-13894, 2017 | 24 | 2017 |
| The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution S Jähnigen, D Sebastiani, R Vuilleumier Physical Chemistry Chemical Physics 23 (32), 17232-17241, 2021 | 20 | 2021 |
| How Crystal Symmetry Dictates Non‐Local Vibrational Circular Dichroism in the Solid State S Jähnigen, K Le Barbu‐Debus, R Guillot, R Vuilleumier, A Zehnacker Angewandte Chemie International Edition 62 (5), e202215599, 2023 | 19 | 2023 |
| Heterobimetallic complexes with highly flexible 1, 1′-bis (phospholanoalkyl) ferrocene ligands A Schmied, A Straube, T Grell, S Jähnigen, E Hey-Hawkins Dalton Transactions 44 (43), 18760-18768, 2015 | 13 | 2015 |
| Influence of the environment on the infrared spectrum of alanine: An effective mode analysis J Bowles, S Jähnigen, R Vuilleumier, F Calvo, C Clavaguéra, F Agostini The Journal of Chemical Physics 158 (9), 2023 | 7 | 2023 |
| Hydrogen Bond between a Tyrosine Residue and the C-Ring Propionate Has a Direct Influence on Conformation and Absorption of the Bilin Cofactor in Red … S Altmayer, S Jähnigen, L Köhler, C Wiebeler, C Song, D Sebastiani, ... The Journal of Physical Chemistry B 125 (5), 1331-1342, 2021 | 6 | 2021 |
| Carbon Atoms Speaking Out: How the Geometric Sensitivity of 13C Chemical Shifts Leads to Understanding the Colour Tuning of Phycocyanobilin in Cph1 and … S Jähnigen, D Sebastiani Molecules 25 (23), 5505, 2020 | 6 | 2020 |
| VCD‐Verstärkung durch chirale Packungseffekte in molekularen Kristallen S Jähnigen, A Scherrer, R Vuilleumier, D Sebastiani Angewandte Chemie 130 (40), 13528-13532, 2018 | 3 | 2018 |
| After 50 Years of Vibrational Circular Dichroism Spectroscopy: Challenges and Opportunities of Increasingly Accurate and Complex Experiments and Computations J Bloino, S Jähnigen, C Merten The Journal of Physical Chemistry Letters 15 (34), 8813-8828, 2024 | 2 | 2024 |
| Back Cover: Chiral Crystal Packing Induces Enhancement of Vibrational Circular Dichroism (Angew. Chem. Int. Ed. 40/2018) S Jähnigen, A Scherrer, R Vuilleumier, D Sebastiani Angewandte Chemie International Edition 57 (40), 13350-13350, 2018 | 2 | 2018 |
| A Python Package for Analysing Supramolecular and Electronic Structure, Chirality and Dynamics (Version 0.21. 5). Zenodo, 2021 SCP Jähnigen | 2 | |
| Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases J Bowles, S Jähnigen, F Agostini, R Vuilleumier, A Zehnacker, F Calvo, ... ChemPhysChem 25 (8), e202300982, 2024 | 1 | 2024 |
| The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals S Jähnigen, R Vuilleumier, A Zehnacker | | 2024 |
| Vibrational Circular Dichroism as a probe of the structure of crystals T Martenot, S Jähnigen, R Vuilleumier, K Le Barbu-Debus, A Zehnacker Congrès Général de la Société Française de Physique, 2023 | | 2023 |
| Computation of Vibrational Circular Dichroism in the Periodic Gauge S Jähnigen, J Bowles, C Clavaguera, F Calvo, A Zehnacker, ... 7th International Conference on Vibrational Optical Activity, 2022 | | 2022 |
