ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
DDU_RBP86-D3BJ_DZ-TZP_COSMO_ener_final.logfileDownload
DDU_RBP86-D3BJ_DZ-TZP_COSMO_ener_final.runDownload
output.cmlDownload
Referenced by:

Manuscript title: Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse Nanoparticles

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.6b00972

Full metadata record
DC FieldValueLanguage
dc.contributor.authorSerapian, Stefano-
dc.date.accessioned2016-01-29T10:31:33Z-
dc.date.available2016-01-29T10:31:33Z-
dc.date.created2016-01-29T11:31:30.672+01:00-
dc.date.issued2016-01-29T11:31:30.672+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/196-
dc.descriptionSingle-point energy calculation on lowest-energy frame-
dc.relationOriginal title: Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse Nanoparticles DOI: 10.1021/jacs.6b00972 Journal: J. Am. Chem. Soc.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-5-
dc.titleStructure_of_the_molecular_triangle-
dc.date.updated2016-01-29T10:31:32Z-
cml.program.nameADFen
cml.program.version2014en
cml.methodDFTen
cml.basissetTZPen
cml.basissetDZen
cml.multiplicity1en
cml.spintypeRestricteden
cml.charge-12en
cml.formula.genericC174H108N18O186P6Si6W51Zn3en
cml.calculationtypeSingle pointen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs11en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Hierarchical self-assembly of polyoxometalate-based hybrids driven by metal coordination and electrostatic interactions: from discrete supramolecular species to dense monodisperse nanoparticles. - DOI: 10.19061/iochem-bd-1-5



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/196

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License