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Table · dataset · 2026

Supplemental Material

Listed in figshare and Loughborough Research Repository and GRANTS Data and UP Research Data Repository — shown once because both records carry DOI 10.60893/figshare.jcp.33892864.v1

Tables with data comparing to literature and with data showing the convergence of the used numerical frequency integration

Links

Where it is published

Catalogue records · 1

Topics

From keywords
Astronomy & Astrophysics · Chemistry · Chemistry · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Density functional theory · Density functional theory · Density functional theory · Density functional theory · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Engineering · Humanities · Humanities · Humanities · Life Sciences · Life Sciences · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Ocean & Atmospheric Science · Psychology & Behavioral Science · Social Science · Social Science · Social Science
Inferred from text
Computational chemistry 80%
Provenance · 4 source records, 41 field assertions
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figshareoai:figshare.com:article/338928647 d agoJSON v1
Loughborough Research Repositoryoai:figshare.com:article/338928647 d agoJSON v1
GRANTS Dataoai:figshare.com:article/338928647 d agoJSON v1
UP Research Data Repositoryoai:figshare.com:article/338928647 d agoJSON v1
FieldAssertionExtractorEvidence
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concepts[field].local:field:chemistrymapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:chemistrymapping · grantsdata jst go jpconnector:grantsdata_jst_go_jp@1.0.0
concepts[field].local:field:computer-science-aimapping · repository lboro ac ukconnector:repository_lboro_ac_uk@1.0.0
concepts[field].local:field:computer-science-aimapping · figshare comconnector:figshare_com@1.0.0
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concepts[field].local:field:life-sciencesmapping · researchdata up ac zaconnector:researchdata_up_ac_za@1.0.0
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concepts[field].local:field:medicine-healthmapping · repository lboro ac ukconnector:repository_lboro_ac_uk@1.0.0
concepts[field].local:field:ocean-atmosphericmapping · figshare comconnector:figshare_com@1.0.0
concepts[field].local:field:psychology-behavioralmapping · repository lboro ac ukconnector:repository_lboro_ac_uk@1.0.0
concepts[field].local:field:social-sciencemapping · repository lboro ac ukconnector:repository_lboro_ac_uk@1.0.0
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concepts[field].local:field:social-sciencemapping · figshare comconnector:figshare_com@1.0.0
concepts[method].local:method:dftmapping · figshare comvocabulary-mapper@1.0.0keywords['density-functional theory']
concepts[method].local:method:dftmapping · repository lboro ac ukvocabulary-mapper@1.0.0keywords['density-functional theory']
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concepts[method].local:method:dftmapping · grantsdata jst go jpvocabulary-mapper@1.0.0keywords['density-functional theory']
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