Full metadata record
DC FieldValueLanguage
cml.program.nameADFen
cml.program.version2012en
cml.program.other01en
cml.methodBP86en
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge-11en
cml.formula.genericC3H3Mo14O48en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCCC1O[Mo]23(O)(O)(O[Mo]4(O)(O)[O-3]5[Mo](O)(O)[O-3]6[Mo](O)(O)(O)[O-3]7[Mo](O)(O)(O)[O-3]8[Mo](O)(O)(O)[O-3]4[Mo]6785O)O[Mo]24(O)(O1)(O[Mo]1(O)(O)[O-3]2[Mo](O)(O)(O)[O-3]5[Mo](O)(O)(O)[O-3]6[Mo](O)(O)(O)[O-3]7[Mo](O)(O)(O4)[O-3]1[Mo]5627O)O3en
cml.formula.smilesCCC1O[Mo]23(O)(O)(O[Mo]4(O)(O)[O-3]5[Mo](O)(O)[O-3]6[Mo](O)(O)(O)[O-3]7[Mo](O)(O)(O)[O-3]8[Mo](O)(O)(O)[O-3]4[Mo]6785O)O[Mo]24(O)(O1)(O[Mo]1(O)(O)[O-3]2[Mo](O)(O)(O)[O-3]5[Mo](O)(O)(O)[O-3]6[Mo](O)(O)(O)[O-3]7[Mo](O)(O)(O4)[O-3]1[Mo]5627O)O3en
dc.contributor.authorMelgar, Dolores-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-12-13T09:02:22Z-
dc.date.accessioned2019-05-04T08:45:07Z-
dc.date.available2017-01-24T17:03:39Z-
dc.date.available2019-05-04T08:45:07Z-
dc.date.created2016-12-13T10:02:21.122+01:00-
dc.date.issued2016-12-13T10:02:21.122+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/269-
dc.descriptionlinker + 2 pentagons + ligand-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Anions coordinating anions: Analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands DOI: 10.1039/C6CP08511C Journal: PCCP*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-33-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlenegativemodel_A-
dc.typedataset-
dc.date.updated2016-12-13T09:02:22Z-
Appears in Collections:Analysis of the interaction between Keplerate nanocapsules and their anionic ligands

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Manuscript title: Anions coordinating anions: Analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands

Journal: PCCP

DOI: 10.1039/C6CP08511C



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/269

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