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fromage: A library for the study of molecular crystal excited states at the aggregate scale

dc.contributor.authorRivera, Men_US
dc.contributor.authorDommett, Men_US
dc.contributor.authorSidat, Aen_US
dc.contributor.authorRahim, Wen_US
dc.contributor.authorCrespo-Otero, Ren_US
dc.date.accessioned2020-01-22T10:43:00Z
dc.date.available2019-12-03en_US
dc.date.issued2020-04-15en_US
dc.identifier.issn0192-8651en_US
dc.identifier.urihttps://qmro.qmul.ac.uk/xmlui/handle/123456789/62480
dc.format.extent1045 - 1058en_US
dc.relation.ispartofJOURNAL OF COMPUTATIONAL CHEMISTRYen_US
dc.rightsThis is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
dc.rightsAttribution 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/us/*
dc.subjectexcitonen_US
dc.subjectmolecular aggregateen_US
dc.subjectONIOMen_US
dc.subjectphotochemistryen_US
dc.subjectPython libraryen_US
dc.titlefromage: A library for the study of molecular crystal excited states at the aggregate scaleen_US
dc.typeArticle
dc.rights.holder© 2020 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc.
dc.identifier.doi10.1002/jcc.26144en_US
pubs.author-urlhttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000505857200001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=612ae0d773dcbdba3046f6df545e9f6aen_US
pubs.issue10en_US
pubs.notesNot knownen_US
pubs.publication-statusAccepteden_US
pubs.volume41en_US
rioxxterms.funderDefault funderen_US
rioxxterms.identifier.projectDefault projecten_US
qmul.funderTowards the Computational Design of Highly Emissive Organic-Single Crystals::Engineering and Physical Sciences Research Councilen_US


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This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Except where otherwise noted, this item's license is described as This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.