Full metadata record
DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRB3LYPen
cml.spintypeRestricteden
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCOC1C2CC(CC1CC1CC(CC(CC3CC(CC(CC4CC(CC(CC5CC(CC(C2)C5OC)C(O)NC2CCCC5CCCC(O)C52)C4OC)C(O)NC2CCCC4CCCC(O)C42)C3OC)C(O)NC2CCCC3CCCC(O)C32)C1OC)C(O)NC1CCCC2CCCC(O)C21)C(O)NC1CCCC2CCCC(O)C21.C1CC2CCC3CCC4CCC5CCC6CCC1C1C2C3C4C5C61en
cml.formula.smilesCOC1C2CC(CC1CC1CC(CC(CC3CC(CC(CC4CC(CC(CC5CC(CC(C2)C5OC)C(O)NC2CCCC5CCCC(O)C52)C4OC)C(O)NC2CCCC4CCCC(O)C42)C3OC)C(O)NC2CCCC3CCCC(O)C32)C1OC)C(O)NC1CCCC2CCCC(O)C21)C(O)NC1CCCC2CCCC(O)C21.C1CC2CCC3CCC4CCC5CCC6CCC1C1C2C3C4C5C61en
cml.formula.smilesCOC1C2CC(CC1CC1CC(CC(CC3CC(CC(CC4CC(CC(CC5CC(CC(C2)C5OC)C(O)NC2CCCC5CCCC(O)C52)C4OC)C(O)NC2CCCC4CCCC(O)C42)C3OC)C(O)NC2CCCC3CCCC(O)C32)C1OC)C(O)NC1CCCC2CCCC(O)C21)C(O)NC1CCCC2CCCC(O)C21.C1CC2CCC3CCC4CCC5CCC6CCC1C1C2C3C4C5C61en
dc.contributor.authorLledó, Agustí-
dc.contributor.otherUniversitat de Gironaen
dc.coverage.spatialES Girona Girona-
dc.date.accessioned2019-09-13T10:20:57Z-
dc.date.accessioned2019-09-24T20:54:30Z-
dc.date.available2019-09-24T20:31:41Z-
dc.date.available2019-09-24T20:54:30Z-
dc.date.created2019-09-13T12:20:55.607+02:00-
dc.date.issued2019-09-13T12:20:55.607+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/212562-
dc.descriptionCavitand-coronene complex (1a+G8)-
dc.publisherUdG-
dc.relationOriginal title: A flexible self-folding receptor for coronene DOI: 10.1039/C9SC03158H Journal: Chem. Sci.*
dc.rightsCC BY 4.0 (c) UdG, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectHost-guest systems-
dc.subjectCavitands-
dc.titleCalix5OMe_coronene-
dc.typedataset-
dc.date.updated2019-09-13T10:20:57Z-
Appears in Collections:Flexible_Cavitand

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Manuscript title: A flexible self-folding receptor for coronene

Journal: Chem. Sci.

DOI: 10.1039/C9SC03158H



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/212562

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