{"data":{"id":"10.6084/m9.figshare.978904_d8","type":"dois","attributes":{"doi":"10.6084/m9.figshare.978904_d8","prefix":"10.6084","suffix":"m9.figshare.978904_d8","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Raghunathan Ramakrishnan","affiliation":[],"nameIdentifiers":[]},{"name":"Dral, Pavlo","nameType":"Personal","givenName":"Pavlo","familyName":"Dral","affiliation":[],"nameIdentifiers":[]},{"name":"Rupp, Matthias","nameType":"Personal","givenName":"Matthias","familyName":"Rupp","affiliation":[],"nameIdentifiers":[{"nameIdentifier":"https://orcid.org/0000-0002-2934-2958","nameIdentifierScheme":"ORCID"}]},{"name":"O. Anatole Von Lilienfeld","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Validation: Benchmark  B3LYP, G4MP2, G4, CBS-QB3 enthalpies of atomization."}],"publisher":"Figshare","container":{},"publicationYear":2014,"subjects":[{"subject":"Physiology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Pharmacology"},{"subject":"Neuroscience"},{"subject":"Medicine"},{"subject":"Computational Chemistry"}],"contributors":[],"dates":[{"date":"2014-06-14","dateType":"Created"},{"date":"2017-06-06","dateType":"Updated"},{"date":"2014","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1038/sdata.2014.22","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["10863 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"CC0","rightsUri":"https://creativecommons.org/publicdomain/zero/1.0"}],"descriptions":[{"description":"Validation: Benchmark B3LYP, G4MP2, G4, CBS-QB3 enthalpies of atomization.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://springernature.figshare.com/articles/Validation:_Benchmark__B3LYP,_G4MP2,_G4,_CBS-QB3_enthalpies_of_atomization./1057642","contentUrl":null,"metadataVersion":2,"schemaVersion":null,"source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":77,"viewsOverTime":[{"yearMonth":"2025-03","total":15},{"yearMonth":"2025-04","total":12},{"yearMonth":"2025-04","total":12},{"yearMonth":"2025-05","total":8},{"yearMonth":"2025-06","total":10},{"yearMonth":"2025-09","total":5},{"yearMonth":"2025-12","total":12},{"yearMonth":"2026-06","total":3}],"downloadCount":21,"downloadsOverTime":[{"yearMonth":"2025-03","total":3},{"yearMonth":"2025-04","total":3},{"yearMonth":"2025-04","total":2},{"yearMonth":"2025-05","total":1},{"yearMonth":"2025-06","total":2},{"yearMonth":"2025-09","total":3},{"yearMonth":"2025-12","total":6},{"yearMonth":"2026-06","total":1}],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2014-07-31T12:02:01.000Z","registered":"2014-07-31T12:02:02.000Z","published":"2014","updated":"2025-06-01T06:49:45.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.978904_d8","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}