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Manuscript title: Photochromism and Dual-Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Serapian, Stefano | - |
| dc.date.accessioned | 2017-01-30T23:20:16Z | - |
| dc.date.available | 2017-03-16T10:08:15Z | - |
| dc.date.created | 2017-01-31T00:20:14.915+01:00 | - |
| dc.date.issued | 2017-01-31T00:20:14.915+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1879 | - |
| dc.description | .1_Optimization_and_Frequencies | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Photochromism and Dual-Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-27 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | _1_Optimization_and_Frequencies | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-01-30T23:20:16Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RPBE1PBE | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1298.49164836 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C25H20N2O3 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Photochromism and Dual-Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch - DOI: 10.19061/iochem-bd-1-27 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1879
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