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ZENODO
Dataset . 2021
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2021
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2021
License: CC BY
Data sources: ZENODO
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Data: Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge

Research datakeyboard_double_arrow_right Dataset 20 May 2021Publisher:Zenodo
Authors: Jähnigen, Sascha; Zehnacker, Anne; Vuilleumier, Rodolphe;

doi: 10.5281/zenodo.4776906 , 10.5281/zenodo.4776907

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

Abstract

This data supplements our article "Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge" Jähnigen, S. et al. (2021). Computation of Solid-State Vibrational Circular Dichroism in the Periodic Gauge, J. Phys. Chem. Lett., 12 (30), 7213-7220. Having presented a straightforward workflow for solid-state VCD that can be integrated into industrial drug design schemes, we provide a Jupyter notebook and the data files to generate IR and VCD spectra in solid-state using our python package ChirPy.

Related Organizations
Keywords

ChirPy, VCD, molecular dynamics

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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