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Quantum chemical insights into the dependence of porphorin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility

dc.contributor.authorPresselt, Martin
dc.contributor.authorDehaen, Wim
dc.contributor.authorMaes, Wouter
dc.contributor.authorKlamt, Andreas
dc.contributor.authorMartinez, Todd
dc.contributor.authorBeenken, Wichard J.D.
dc.contributor.authorKruk, Mikalai
dc.date.accessioned2021-10-22T21:55:26Z
dc.date.available2021-10-22T21:55:26Z
dc.date.issued2015
dc.identifier.issn1463-9076
dc.identifier.urihttps://imec-publications.be/handle/20.500.12860/25773
dc.sourceIIOimport
dc.titleQuantum chemical insights into the dependence of porphorin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility
dc.typeJournal article
dc.contributor.imecauthorMaes, Wouter
dc.identifier.doi10.1039/c5cp01808k
dc.source.peerreviewyes
dc.source.beginpage14096
dc.source.endpage14106
dc.source.journalPhysical Chemistry Chemical Physics
dc.source.volume17
dc.identifier.urlhttp://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP01808K?utm_source=feedburner&utm_medium=feed&utm_campaign=Feed%3A+rss%
imec.availabilityPublished - open access


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