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Part 1: Document Description
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Citation |
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Title: |
Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules |
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Identification Number: |
doi:10.26165/JUELICH-DATA/YNPMLW |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2026-06-09 |
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Version: |
1 |
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Bibliographic Citation: |
Kern, Christian S.; Yang, Xiaosheng; Zamborlini, Giovanni; Mearini, Simone; Jugovac, Matteo; Feyer, Vitaliy; De Giovannini, Umberto; Rubio, Angel; Soubatch, Serguei; Ramsey, Michael G.; Tautz, F. Stefan; Puschnig, Peter, 2026, "Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules", https://doi.org/10.26165/JUELICH-DATA/YNPMLW, Jülich DATA, V1 |
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Citation |
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Title: |
Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules |
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Identification Number: |
doi:10.26165/JUELICH-DATA/YNPMLW |
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Authoring Entity: |
Kern, Christian S. (Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria) |
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Yang, Xiaosheng (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Zamborlini, Giovanni (Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Mearini, Simone (Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Jugovac, Matteo (Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Feyer, Vitaliy (Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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De Giovannini, Umberto (Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg, Germany) |
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Rubio, Angel (Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg, Germany) |
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Soubatch, Serguei (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Ramsey, Michael G. (Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria) |
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Tautz, F. Stefan (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Puschnig, Peter (Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria) |
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Distributor: |
Jülich DATA |
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Access Authority: |
Tautz, F. Stefan |
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Depositor: |
Meier, Anja |
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Date of Deposit: |
2026-05-05 |
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Study Scope |
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Keywords: |
Chemistry, Physics |
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Abstract: |
We provide here the raw data used to produce Figures and Tables in Christian S. Kern, Xiaosheng Yang, Giovanni Zamborlini, Simone Mearini, Matteo Jugovac, Vitaliy Feyer, Umberto De Giovannini, Angel Rubio, Serguei Soubatch, Michael G. Ramsey, F. Stefan Tautz, and Peter Puschnig, "Circular dichroism in the photoelectron angular distribution of achiral molecules" |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Label: |
Fig_01.zip |
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Text: |
Theory data: File Format containing atomic structure and 3D data |
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Notes: |
application/zip |
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Label: |
Fig_02.zip |
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Text: |
Theory data: Files neccessary to reproduce the TDDFT calculations with OCTOPUS and output file of the actual calculations, as well as VTK file containig the photoemission data |
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Notes: |
application/zip |
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Label: |
Fig_03_and_Fig_04_and_Fig_06.zip |
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Text: |
Theory data: TDDFT: Files neccessary to reproduce the TDDFT calculations with OCTOPUS and output file of the actual calculations, as well as VTK file containig the photoemission data. SWA: Input and output files of the DFT simulations with NWChem |
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Notes: |
application/zip |
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Fig_07.zip |
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Text: |
Theory data: SWA: Input and output files of the DFT simulations with NWChem |
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Notes: |
application/zip |
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Label: |
Fig.2.zip |
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Text: |
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. |
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Notes: |
application/zip |
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Fig.4_Cu.zip |
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Text: |
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. |
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Notes: |
application/zip |
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Fig.4_molecules.zip |
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Text: |
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. |
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Notes: |
application/zip |
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Label: |
Fig.5_EDC.zip |
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Text: |
Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. |
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Notes: |
application/zip |