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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 Field | Value | Language |
|---|---|---|
| dc.contributor.author | Serapian, Stefano | - |
| dc.date.accessioned | 2016-01-29T10:31:37Z | - |
| dc.date.available | 2016-01-29T10:31:37Z | - |
| dc.date.created | 2016-01-29T11:31:35.659+01:00 | - |
| dc.date.issued | 2016-01-29T11:31:35.659+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/198 | - |
| dc.description | Optimisation of the molecular triangle with ONIOM | - |
| dc.relation | Original 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.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-5 | - |
| dc.title | Structure_of_the_molecular_triangle_2_(ONIOM) | - |
| dc.date.updated | 2016-01-29T10:31:37Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | ONIOM | en |
| cml.method | BP86 | en |
| cml.method | PM6 | en |
| cml.basisset | 6-311G(d,p) | en |
| cml.basisset | LANL2DZ | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | en | |
| cml.shelltype | Closed | en |
| cml.charge | -12 | en |
| cml.charge | -18 | en |
| cml.charge | -18 | en |
| cml.energy.value | -17.6018727927 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C174H108N18O186P6Si6W51Zn3 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| 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/100/198
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