fullcapsule_SO4

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File	Description	Size	Format	Retrieve
syst_solv.in		74.45 kB	ADF file	Download
output.cml		4.74 MB	Chemical Markup Language	Download

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

Journal: PCCP

Full metadata record

DC Field	Value	Language
dc.contributor.author	Melgar, Dolores	-
dc.date.accessioned	2016-12-13T09:01:47Z	-
dc.date.available	2017-01-24T17:03:35Z	-
dc.date.created	2016-12-13T10:01:45.935+01:00	-
dc.date.issued	2016-12-13T10:01:45.935+01:00	-
dc.identifier.uri	https://iochem-bd.iciq.es/browse/handle/100/1728	-
dc.description	Mo132 + 30 SO4	-
dc.publisher	Institute of Chemical Research of Catalonia	-
dc.relation	Original title: Anions coordinating anions: Analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands DOI: 10.1039/C6CP08511C Journal: PCCP	*
dc.relation.ispartof	http://dx.doi.org/10.19061/iochem-bd-1-33	-
dc.rights	CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2016	-
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/	-
dc.title	fullcapsule_SO4	-
dc.type	dataset	-
dc.date.updated	2016-12-13T09:01:47Z	-
cml.program.name	ADF	en
cml.program.version	2012	en
cml.program.other	01	en
cml.method	DFT	en
cml.multiplicity	1	en
cml.spintype	Restricted	en
cml.charge	-72	en
cml.formula.generic	Mo132O492S30	en
cml.calculationtype	Single point	en
cml.hassolvent	true	en
cml.hasvibrationalfrequencies	false	en
cml.numberofjobs	1	en
cml.hasmolecularorbitals	false	en
Appears in Collections:	Analysis of the interaction between Keplerate nanocapsules and their anionic ligands - DOI: 10.19061/iochem-bd-1-33

Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/1728

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