Published October 20, 2022
| Version v1
Dataset
Open
Data: How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State
Authors/Creators
- 1. PASTEUR, Département de chimie, École normale supérieure, PSL University, Sorbonne Université, CNRS, 75005, Paris, France
- 2. Institut des Sciences Moléculaires d'Orsay (ISMO), CNRS, Université Paris-Saclay, 91405 Orsay, France
Description
This data supplements our article How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State
We provide a Jupyter notebook and the data files to generate IR and VCD spectra in solid-state using our python package ChirPy.
Files
How_Crystal_Symmetry_Dictates_Non-Local_Vibrational_Circular_Dichroism_in_Solid_State_part1.ipynb
Files
(94.0 MB)
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Additional details
Funding
- Agence Nationale de la Recherche
- Dichroprobe - Vibrational Circular Dichroism as a Probe of Non-Covalent Interactions ANR-18-CE29-0001