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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
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Claim

XYZ files and TDDFT results of geometry optimized structures of donor-acceptor functionalized phenylanthracenes

Research datakeyboard_double_arrow_right Dataset 14 Nov 2025Publisher:Zenodo
Authors: Zolg, Julia;

doi: 10.5281/zenodo.17608992 , 10.5281/zenodo.17608991

XYZ files and TDDFT results of geometry optimized structures of donor-acceptor functionalized phenylanthracenes

Abstract

XYZ coordinates of geometry optimized structures of donor-acceptor functionalized phenylanthracenes by DFT methods (B3LYP-D3/def2-TZVP) TDDFT results calculated at the cam-B3LYP-D3/def2-TZVP level of theory, where the range separation parameter was optimized individually for each compound. All calculations were performed usind ORCA 5.0.3.

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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!
0
Average
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Average