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Part 1: Document Description
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Citation |
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Title: |
Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory |
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Identification Number: |
doi:10.26165/JUELICH-DATA/V2XQ53 |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2026-01-12 |
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Version: |
1 |
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Bibliographic Citation: |
Krieger, Ina; Sokolowski, Moritz; Haags, Anja; Bredow, Thomas; Kumpf, Christian; Tautz, F. Stefan; Held, Georg, 2026, "Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory", https://doi.org/10.26165/JUELICH-DATA/V2XQ53, Jülich DATA, V1 |
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Citation |
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Title: |
Data used in: Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory |
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Identification Number: |
doi:10.26165/JUELICH-DATA/V2XQ53 |
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Authoring Entity: |
Krieger, Ina (Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany) |
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Sokolowski, Moritz (Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany) |
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Haags, Anja (Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany; Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Bredow, Thomas (Mulliken Center for Theoretical Chemistry, Clausius-Institut für Physikalische und Theoretische Chemie, Universität Bonn, 53115 Bonn, Germany) |
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Kumpf, Christian (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Tautz, F. Stefan (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany) |
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Held, Georg (Diamond Light Source Ltd, Oxfordshire OX11 0DE) |
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Distributor: |
Jülich DATA |
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Access Authority: |
Meier, Anja |
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Depositor: |
Meier, Anja |
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Date of Deposit: |
2025-06-13 |
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Study Scope |
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Keywords: |
Physics |
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Abstract: |
We provide the Data and source files in Krieger et al., "Structure Analysis of PTCDA/Ag(100) by Low Energy Electron Diffraction and Density Functional Theory" |
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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: |
Ag5-down_pmin_sr33_bulk_corr2.csv |
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Text: |
xyz file for down configuration |
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Notes: |
text/csv |
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Label: |
Ag5-up_pmin_sr33_nbulk_corr2.csv |
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Text: |
xyz file for up configuration |
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Notes: |
text/csv |
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Label: |
Ag5-vacancy_pmin_sr35_bulk_corr2.csv |
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Text: |
xyz file for vacancy model |
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Notes: |
text/csv |
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Label: |
theta0.tar |
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Text: |
Experimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 0 degrees. |
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Notes: |
application/x-tar |
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Label: |
theta10.tar |
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Text: |
Experimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 10 degrees. |
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Notes: |
application/x-tar |
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Label: |
theta5.tar |
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Text: |
Experimental (*.xxe) and theoretical (*.xxt) LEED-IV curves with nominal incidence angle of 5 degrees. |
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Notes: |
application/x-tar |