<?xml version='1.0' encoding='UTF-8'?><codeBook xmlns="ddi:codebook:2_5" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="ddi:codebook:2_5 https://ddialliance.org/Specification/DDI-Codebook/2.5/XMLSchema/codebook.xsd" version="2.5"><docDscr><citation><titlStmt><titl>Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules</titl><IDNo agency="DOI">doi:10.26165/JUELICH-DATA/YNPMLW</IDNo></titlStmt><distStmt><distrbtr source="archive">Jülich DATA</distrbtr><distDate>2026-06-09</distDate></distStmt><verStmt source="DVN"><version date="2026-06-09" type="RELEASED">1</version></verStmt><biblCit>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</biblCit></citation></docDscr><stdyDscr><citation><titlStmt><titl>Data used in: Circular dichroism in the photoelectron angular distribution of achiral molecules</titl><IDNo agency="DOI">doi:10.26165/JUELICH-DATA/YNPMLW</IDNo></titlStmt><rspStmt><AuthEnty affiliation="Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria">Kern, Christian S.</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany">Yang, Xiaosheng</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany">Zamborlini, Giovanni</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany">Mearini, Simone</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany">Jugovac, Matteo</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich, 52425 Jülich, Germany">Feyer, Vitaliy</AuthEnty><AuthEnty affiliation="Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg, Germany">De Giovannini, Umberto</AuthEnty><AuthEnty affiliation="Max Planck Institute for the Structure and Dynamics of Matter, 22761 Hamburg, Germany">Rubio, Angel</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany">Soubatch, Serguei</AuthEnty><AuthEnty affiliation="Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria">Ramsey, Michael G.</AuthEnty><AuthEnty affiliation="Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany">Tautz, F. Stefan</AuthEnty><AuthEnty affiliation="Institute of Physics, NAWI Graz, University of Graz, 8010 Graz, Austria">Puschnig, Peter</AuthEnty></rspStmt><prodStmt/><distStmt><distrbtr source="archive">Jülich DATA</distrbtr><contact affiliation="Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany" email="s.tautz@fz-juelich.de">Tautz, F. Stefan</contact><depositr>Meier, Anja</depositr><depDate>2026-05-05</depDate></distStmt></citation><stdyInfo><subject><keyword>Chemistry</keyword><keyword>Physics</keyword></subject><abstract date="2026-05-05">We provide here the raw data used to produce Figures and Tables in&#xd;
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,&#xd;
"Circular dichroism in the photoelectron angular distribution of achiral molecules"</abstract><sumDscr/></stdyInfo><method><dataColl><sources/></dataColl><anlyInfo/></method><dataAccs><setAvail/><useStmt/></dataAccs><othrStdyMat/></stdyDscr><otherMat ID="f52765" URI="https://data.fz-juelich.de/api/access/datafile/52765" level="datafile"><labl>Fig_01.zip</labl><txt>Theory data: File Format containing atomic structure and 3D data</txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f52764" URI="https://data.fz-juelich.de/api/access/datafile/52764" level="datafile"><labl>Fig_02.zip</labl><txt>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</txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f52766" URI="https://data.fz-juelich.de/api/access/datafile/52766" level="datafile"><labl>Fig_03_and_Fig_04_and_Fig_06.zip</labl><txt>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</txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f52767" URI="https://data.fz-juelich.de/api/access/datafile/52767" level="datafile"><labl>Fig_07.zip</labl><txt>Theory data: SWA: Input and output files of the DFT simulations with NWChem</txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f50389" URI="https://data.fz-juelich.de/api/access/datafile/50389" level="datafile"><labl>Fig.2.zip</labl><txt>Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. </txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f50390" URI="https://data.fz-juelich.de/api/access/datafile/50390" level="datafile"><labl>Fig.4_Cu.zip</labl><txt>Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. </txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f50388" URI="https://data.fz-juelich.de/api/access/datafile/50388" level="datafile"><labl>Fig.4_molecules.zip</labl><txt>Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. </txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat><otherMat ID="f50387" URI="https://data.fz-juelich.de/api/access/datafile/50387" level="datafile"><labl>Fig.5_EDC.zip</labl><txt>Experimental data: Stacks of individual tif files each of those is a snapshot of the PEEM MCP image at a fixed kinetic energy. </txt><notes level="file" type="DATAVERSE:CONTENTTYPE" subject="Content/MIME Type">application/zip</notes></otherMat></codeBook>