96 lines
7.3 KiB
XML
96 lines
7.3 KiB
XML
<?xml version="1.0" encoding="utf-8"?>
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<!--re3data.org Schema for the Description of Research Data Repositories. Version 2.2, December 2014. doi:10.2312/re3.006-->
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<r3d:re3data xmlns:r3d="http://www.re3data.org/schema/2-2" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.re3data.org/schema/2-2 http://schema.re3data.org/2-2/re3dataV2-2.xsd">
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<r3d:repository>
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<r3d:re3data.orgIdentifier>r3d100011166</r3d:re3data.orgIdentifier>
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<r3d:repositoryName language="eng">Benchmark Energy & Geometry Database</r3d:repositoryName>
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<r3d:additionalName language="eng">BEGDB</r3d:additionalName>
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<r3d:repositoryURL>http://www.begdb.org/</r3d:repositoryURL>
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<r3d:repositoryIdentifier>FAIRsharing_doi:10.25504/FAIRsharing.nbe4fq</r3d:repositoryIdentifier>
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<r3d:description language="eng">The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.</r3d:description>
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<r3d:repositoryContact>http://www.begdb.org/index.php?action=contact&state=write</r3d:repositoryContact>
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<r3d:repositoryContact>rezi99@gmail.com</r3d:repositoryContact>
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<r3d:type>disciplinary</r3d:type>
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<r3d:size updated=""></r3d:size>
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<r3d:startDate>2008</r3d:startDate>
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<r3d:endDate></r3d:endDate>
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<r3d:repositoryLanguage>eng</r3d:repositoryLanguage>
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<r3d:subject subjectScheme="DFG">2 Life Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">201 Basic Biological and Medical Research</r3d:subject>
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<r3d:subject subjectScheme="DFG">20101 Biochemistry</r3d:subject>
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<r3d:subject subjectScheme="DFG">21 Biology</r3d:subject>
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<r3d:subject subjectScheme="DFG">3 Natural Sciences</r3d:subject>
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<r3d:subject subjectScheme="DFG">301 Molecular Chemistry</r3d:subject>
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<r3d:subject subjectScheme="DFG">30102 Organic Molecular Chemistry</r3d:subject>
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<r3d:subject subjectScheme="DFG">31 Chemistry</r3d:subject>
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<r3d:missionStatementURL>http://www.begdb.org/index.php?action=introduction</r3d:missionStatementURL>
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<r3d:contentType contentTypeScheme="parse">Archived data</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Standard office documents</r3d:contentType>
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<r3d:contentType contentTypeScheme="parse">Structured graphics</r3d:contentType>
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<r3d:providerType>dataProvider</r3d:providerType>
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<r3d:keyword>benchmarks</r3d:keyword>
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<r3d:keyword>biochemistry</r3d:keyword>
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<r3d:keyword>energy</r3d:keyword>
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<r3d:keyword>geometry</r3d:keyword>
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<r3d:keyword>molecular structures</r3d:keyword>
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<r3d:keyword>organic chemistry</r3d:keyword>
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<r3d:keyword>parameterization</r3d:keyword>
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<r3d:keyword>quantum mechanics calculations</r3d:keyword>
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<r3d:institution>
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<r3d:institutionName language="eng">Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry
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Academy of Sciences of the Czech Republic, Institute of Organic Chemistry and Biochemistry AS CR, v.v.i.</r3d:institutionName>
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<r3d:institutionAdditionalName language="eng">IOCB AS CR</r3d:institutionAdditionalName>
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<r3d:institutionAdditionalName language="ces">ÚOCHB AV ČR</r3d:institutionAdditionalName>
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<r3d:institutionAdditionalName language="ces">Ústav organické chemie a biochemie AV ČR, v.v.i.</r3d:institutionAdditionalName>
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<r3d:institutionCountry>CZE</r3d:institutionCountry>
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<r3d:responsibilityType>general</r3d:responsibilityType>
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<r3d:responsibilityType>technical</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.uochb.cz/en</r3d:institutionURL>
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<r3d:institutionIdentifier>ROR:04nfjn472</r3d:institutionIdentifier>
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<r3d:responsibilityStartDate>2008</r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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<r3d:institutionContact>uochb@uochb.cas.cz</r3d:institutionContact>
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</r3d:institution>
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<r3d:institution>
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<r3d:institutionName language="eng">ELIXIR CZ</r3d:institutionName>
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<r3d:institutionCountry>CZE</r3d:institutionCountry>
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<r3d:responsibilityType>technical</r3d:responsibilityType>
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<r3d:institutionType>non-profit</r3d:institutionType>
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<r3d:institutionURL>https://www.elixir-czech.cz/</r3d:institutionURL>
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<r3d:responsibilityStartDate></r3d:responsibilityStartDate>
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<r3d:responsibilityEndDate></r3d:responsibilityEndDate>
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<r3d:institutionContact>elixir@uochb.cas.cz</r3d:institutionContact>
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</r3d:institution>
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<r3d:policy>
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<r3d:policyName>Terms and conditions</r3d:policyName>
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<r3d:policyURL>http://www.begdb.org/index.php?action=license</r3d:policyURL>
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</r3d:policy>
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<r3d:databaseAccess>
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<r3d:databaseAccessType>open</r3d:databaseAccessType>
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</r3d:databaseAccess>
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<r3d:dataAccess>
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<r3d:dataAccessType>open</r3d:dataAccessType>
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</r3d:dataAccess>
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<r3d:dataLicense>
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<r3d:dataLicenseName>Copyrights</r3d:dataLicenseName>
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<r3d:dataLicenseURL>http://www.begdb.org/index.php?action=license</r3d:dataLicenseURL>
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</r3d:dataLicense>
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<r3d:dataUpload>
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<r3d:dataUploadType>restricted</r3d:dataUploadType>
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<r3d:dataUploadRestriction>other</r3d:dataUploadRestriction>
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</r3d:dataUpload>
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<r3d:software>
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<r3d:softwareName>unknown</r3d:softwareName>
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</r3d:software>
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<r3d:versioning></r3d:versioning>
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<r3d:pidSystem>none</r3d:pidSystem>
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<r3d:citationGuidelineURL>http://www.begdb.org/index.php?action=quotations</r3d:citationGuidelineURL>
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<r3d:enhancedPublication>yes</r3d:enhancedPublication>
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<r3d:qualityManagement>yes</r3d:qualityManagement>
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<r3d:remarks></r3d:remarks>
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<r3d:entryDate>2014-10-09</r3d:entryDate>
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<r3d:lastUpdate>2022-11-09</r3d:lastUpdate>
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</r3d:repository>
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</r3d:re3data> |