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DC FieldValueLanguage
cml.program.nameADFen
cml.program.version2012en
cml.program.other01en
cml.methodBP86en
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge5en
cml.formula.genericCH17Mo14O48en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesO[Mo]1(O)O[Mo]234(O)(OCO[Mo]25(O)(O[Mo]2(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]9[Mo](O)(O)(O5)[O-3]2[Mo]7869O)(O3)O4)O[Mo]2(O)(O)O[Mo]34(O)[O-3]1[Mo](O)(O)(O)O[Mo](O)(O)(O)[O-3]3[Mo](O)(O)(O)[O-3]24en
cml.formula.smilesO[Mo]1(O)O[Mo]234(O)(OCO[Mo]25(O)(O[Mo]2(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]9[Mo](O)(O)(O5)[O-3]2[Mo]7869O)(O3)O4)O[Mo]2(O)(O)O[Mo]34(O)[O-3]1[Mo](O)(O)(O)O[Mo](O)(O)(O)[O-3]3[Mo](O)(O)(O)[O-3]24en
dc.contributor.authorMelgar, Dolores-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2016-12-13T09:02:28Z-
dc.date.accessioned2019-05-04T08:45:14Z-
dc.date.available2017-01-24T17:03:38Z-
dc.date.available2019-05-04T08:45:14Z-
dc.date.created2016-12-13T10:02:26.879+01:00-
dc.date.issued2016-12-13T10:02:26.879+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/273-
dc.descriptionlinker + 2 protonated 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.titlepositivemodel_HCOO-
dc.typedataset-
dc.date.updated2016-12-13T09:02:28Z-
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/10/273

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