{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T19:38:33Z","timestamp":1774467513305,"version":"3.50.1"},"reference-count":22,"publisher":"American Chemical Society (ACS)","issue":"7","license":[{"start":{"date-parts":[[2019,7,1]],"date-time":"2019-07-01T00:00:00Z","timestamp":1561939200000},"content-version":"vor","delay-in-days":12,"URL":"http:\/\/pubs.acs.org\/page\/policy\/authorchoice_ccbyncnd_termsofuse.html"}],"funder":[{"DOI":"10.13039\/501100003246","name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","doi-asserted-by":"publisher","award":["027.014.202"],"award-info":[{"award-number":["027.014.202"]}],"id":[{"id":"10.13039\/501100003246","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003246","name":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","doi-asserted-by":"publisher","award":["723.013.002"],"award-info":[{"award-number":["723.013.002"]}],"id":[{"id":"10.13039\/501100003246","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2019,7,22]]},"DOI":"10.1021\/acs.jcim.9b00384","type":"journal-article","created":{"date-parts":[[2019,6,19]],"date-time":"2019-06-19T20:43:29Z","timestamp":1560977009000},"page":"3191-3197","source":"Crossref","is-referenced-by-count":49,"title":["QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry"],"prefix":"10.1021","volume":"59","author":[{"given":"Felipe","family":"Zapata","sequence":"first","affiliation":[{"name":"Division of Theoretical Chemistry, Faculty of Science, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands"},{"name":"Netherlands eScience Center, Science Park 140 (Matrix I), 1098 XG Amsterdam, The Netherlands"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lars","family":"Ridder","sequence":"additional","affiliation":[{"name":"Netherlands eScience Center, Science Park 140 (Matrix I), 1098 XG Amsterdam, The Netherlands"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Johan","family":"Hidding","sequence":"additional","affiliation":[{"name":"Netherlands eScience Center, Science Park 140 (Matrix I), 1098 XG Amsterdam, The Netherlands"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6227-8476","authenticated-orcid":true,"given":"Christoph R.","family":"Jacob","sequence":"additional","affiliation":[{"name":"Institute of Physical and Theoretical Chemistry, TU Braunschweig, Gau\u00dfstra\u00dfe 17, 38106 Braunschweig, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3467-9376","authenticated-orcid":true,"given":"Ivan","family":"Infante","sequence":"additional","affiliation":[{"name":"Division of Theoretical Chemistry, Faculty of Science, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands"},{"name":"Department of Nanochemistry, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7748-6243","authenticated-orcid":true,"given":"Lucas","family":"Visscher","sequence":"additional","affiliation":[{"name":"Division of Theoretical Chemistry, Faculty of Science, Vrije Universiteit Amsterdam, de Boelelaan 1083, 1081 HV Amsterdam, The Netherlands"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2019,6,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmat.2017.08.002"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4717"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/jz200866s"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1063\/1.477267"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/c0cp02984j"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1063\/1.2790009"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ct400513s"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00764"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21810"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1163"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/cpe.3505"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2015.09.013"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648X\/aa680e"},{"key":"ref14\/cit14","unstructured":"Software\nfor Chemistry & Materials B.V. (SCM): 2018."},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.5281\/ZENODO.205986"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.1056"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1159"},{"key":"ref18\/cit18","unstructured":"Visscher, L.; Jensen, H. J. Aa.; Bast, R.; Saue, T. with contributions from Bakken, V.; Dyall, K.\nG.; Dubillard, S.; Ekstr\u00f6m, U.; Eliav, E.; Enevoldsen, T.; Fa\u00dfhauer, E.; Fleig, T.; Fossgaard, O.; Gomes, A. S. P.; Hedeg\u00e5rd, E. D.; Helgaker, T.; Henriksson, J.; Ilia\u0161, M. Dirac, A relativistic ab initio electronic structure program, Release DIRAC17."},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/B978-044451719-7\/50084-6"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.81"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.5281\/ZENODO.1045523"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/ci300415d"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b00384","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.9b00384","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T09:18:32Z","timestamp":1682241512000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.9b00384"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,6,19]]},"references-count":22,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2019,7,22]]}},"alternative-id":["10.1021\/acs.jcim.9b00384"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.9b00384","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,6,19]]}}}