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dc.contributor.authorMcKenzie, Jamesen
dc.contributor.authorFeeder, Neilen
dc.contributor.authorHunter, Christopheren
dc.date.accessioned2015-12-04T14:00:06Z
dc.date.available2015-12-04T14:00:06Z
dc.date.issued2015-12-21en
dc.identifier.citationCrystEngComm 2016, 18: 394-397. doi:10.1039/C5CE02223Aen
dc.identifier.issn1466-8033
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/252859
dc.description.abstractThe H-bonding outcomes in crystal structures of simple molecules, where two potential H-bonds can be formed, have been used to calculate relative H-bond probabilities for 59 combinations of Hbond donors and H-bond acceptors. H-bond probabilities are shown to correlate well with the difference in solution phase free energy between the two competing H-bonds.
dc.description.sponsorshipWe acknowledge the financial support from the EPSRC through a CASE award scheme in collaboration with the Cambridge Crystallographic Data Centre.
dc.languageEnglishen
dc.language.isoenen
dc.publisherRSC
dc.titleH-bond competition experiments in solution and the solid stateen
dc.typeArticle
dc.description.versionThis is the author accepted manuscript. The final version is available from RSC via http://dx.doi.org/10.1039/C5CE02223Aen
prism.endingPage397
prism.publicationDate2015en
prism.publicationNameCrystEngCommen
prism.startingPage394
prism.volume18en
dc.rioxxterms.funderEPSRC
rioxxterms.versionofrecord10.1039/C5CE02223Aen
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2015-12-21en
dc.contributor.orcidHunter, Christopher [0000-0002-5182-1859]
dc.identifier.eissn1466-8033
rioxxterms.typeJournal Article/Reviewen
rioxxterms.freetoread.startdate2016-12-21


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