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

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery

Research datakeyboard_double_arrow_right Dataset 18 Aug 2024Publisher:ZenodoFunded by:NSF | Graduate Research Fellows..., NSF | Graduate Research Fellows...
Authors: Chu, Daniel B. K.; González-Narváez, David A.; Meyer, Ralf; Nandy, Aditya; Kulik, Heather J.;

doi: 10.5281/zenodo.13338062 , 10.5281/zenodo.13338063

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery

Abstract

Dataset of transition metal complex structures in .xyz file format, computed and predicted energies in comma delimited format, model information in JSON format, and the Mathematica script for uncertainty analysis for associated manuscript.

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    popularity
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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).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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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!
1
Average
Average
Average