Dataset Open Access
Gorfinkiel, J.D.
<?xml version='1.0' encoding='utf-8'?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:adms="http://www.w3.org/ns/adms#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dct="http://purl.org/dc/terms/" xmlns:dctype="http://purl.org/dc/dcmitype/" xmlns:dcat="http://www.w3.org/ns/dcat#" xmlns:duv="http://www.w3.org/ns/duv#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:frapo="http://purl.org/cerif/frapo/" xmlns:geo="http://www.w3.org/2003/01/geo/wgs84_pos#" xmlns:gsp="http://www.opengis.net/ont/geosparql#" xmlns:locn="http://www.w3.org/ns/locn#" xmlns:org="http://www.w3.org/ns/org#" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:prov="http://www.w3.org/ns/prov#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:schema="http://schema.org/" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:vcard="http://www.w3.org/2006/vcard/ns#" xmlns:wdrs="http://www.w3.org/2007/05/powder-s#"> <rdf:Description rdf:about="https://doi.org/10.5281/zenodo.5566537"> <rdf:type rdf:resource="http://www.w3.org/ns/dcat#Dataset"/> <dct:type rdf:resource="http://purl.org/dc/dcmitype/Dataset"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://doi.org/10.5281/zenodo.5566537</dct:identifier> <foaf:page rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> <dct:creator> <rdf:Description> <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/> <foaf:name>Gorfinkiel, J.D.</foaf:name> <foaf:givenName>J.D.</foaf:givenName> <foaf:familyName>Gorfinkiel</foaf:familyName> <org:memberOf> <foaf:Organization> <foaf:name>The Open University</foaf:name> </foaf:Organization> </org:memberOf> </rdf:Description> </dct:creator> <dct:title>Integral and differential elastic cross sections for electron scattering from water for 0.1-15 eV</dct:title> <dct:publisher> <foaf:Agent> <foaf:name>Zenodo</foaf:name> </foaf:Agent> </dct:publisher> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2021</dct:issued> <dcat:keyword>electron scattering, cross sections</dcat:keyword> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2021-10-13</dct:issued> <owl:sameAs rdf:resource="https://zenodo.org/record/5566537"/> <adms:identifier> <adms:Identifier> <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/5566537</skos:notation> <adms:schemeAgency>url</adms:schemeAgency> </adms:Identifier> </adms:identifier> <dct:isVersionOf rdf:resource="https://doi.org/10.5281/zenodo.5566536"/> <dct:description><p>Elastic integral and differential cross sections (DCS) for electron scattering from H<sub>2</sub>O calculated with the R-matrix method within the fixed-nuclei approximation. Details of the calculations can be found in <em>Evaluation of Recommended Cross Sections for the simulation of Electron Tracks in Water</em>, Garc&iacute;a-Abenza <em>et al.</em>, <em>Atoms</em>, submitted. The models used for the calculations were taken from Gorfinkiel <em>et al.</em> <em>J. Phys. B </em><strong>35</strong> (2002) 543, doi:10.1088/0953-4075/35/3/309 and Faure <em>et al.</em> <em>J. Phys.</em> <strong>37</strong> (2004) 801, doi:10.1088/0953-4075/37/4/007.</p> <p>All energies are in eV, angles in degrees and cross sections in Angstrom**2. The dcs_*** files contain DCS for the energy indicated by the file name for angles between 0 and 180; the integral_cross_section file contains the integral cross section for the energy range indicated by the zip file.</p> <p>These zip files contain the following:</p> <ul> <li><strong>dcs_0-7eV.zip:&nbsp;</strong> data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices</li> <li><strong>dcs_7-15eV.zip: </strong>DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and POLYDCS from T-matrices</li> <li><strong>dcs_noborn_0-7eV.zip:</strong>&nbsp; data DCS between 0.01 and 6.97 eV calculated using the UKRmol suite and POLYDCS from K-matrices treating the molecule as non-polar</li> <li><strong>dcs_7-15eV.zip: </strong>DCS between 7.01 and 15.0 eV calculated using the UKRmol suite and DCS from T-matrices treating the molecule as non-polar.</li> </ul></dct:description> <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/> <dct:accessRights> <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess"> <rdfs:label>Open Access</rdfs:label> </dct:RightsStatement> </dct:accessRights> <dcat:distribution> <dcat:Distribution> <dct:license rdf:resource="https://creativecommons.org/licenses/by/4.0/legalcode"/> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> <dcat:byteSize>327940</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/5566537/files/dcs_0-7eV.zip"/> <dcat:mediaType>application/zip</dcat:mediaType> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> <dcat:byteSize>378587</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/5566537/files/dcs_7-15eV.zip"/> <dcat:mediaType>application/zip</dcat:mediaType> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> <dcat:byteSize>328176</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/5566537/files/dcs_noborn_0-7eV.zip"/> <dcat:mediaType>application/zip</dcat:mediaType> </dcat:Distribution> </dcat:distribution> <dcat:distribution> <dcat:Distribution> <dcat:accessURL rdf:resource="https://doi.org/10.5281/zenodo.5566537"/> <dcat:byteSize>53081</dcat:byteSize> <dcat:downloadURL rdf:resource="https://zenodo.org/record/5566537/files/dcs_noborn_7-15eV.zip"/> <dcat:mediaType>application/zip</dcat:mediaType> </dcat:Distribution> </dcat:distribution> </rdf:Description> </rdf:RDF>
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