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ZENODO
Dataset . 2024
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
Claim

RDB19-Rad

Research datakeyboard_double_arrow_right Dataset 05 Jun 2024Publisher:Zenodo
Authors: Spiekermann, Kevin; Dong, Xiaorui; Menon, Angiras; Green, William; Pfeifle, Mark; Sandfort, Frederik; Welz, Oliver; +1 Authors

doi: 10.5281/zenodo.11493786

Abstract

This dataset contains supporting information for our published work, "Accurately Predicting Barrier Heights for Radical Reactions in Solution using Deep Graph Networks". Please see the README below for a detailed summary of every item included in this repository. 

Related Organizations
Keywords

Reaction Barriers, Solvation, Liquid-phase reaction, Quantum chemistry, COSMO-RS

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    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).
    		 0
    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.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
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).
BIP!Citations provided by BIP!
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.
BIP!Popularity provided by BIP!
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.
BIP!Impulse provided by BIP!
0
Average
Average
Average