ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Sc2O@Td(19151)-C76: Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Abella, Laura | - |
| dc.date.accessioned | 2016-03-01T19:17:33Z | - |
| dc.date.available | 2016-03-01T19:17:33Z | - |
| dc.date.created | 2016-03-01T20:17:31.797+01:00 | - |
| dc.date.issued | 2016-03-01T20:17:31.797+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100000000/65 | - |
| dc.description | UV-vis-NIR of Sc2O@Td(2)-C76 | - |
| dc.relation | Original title: Sc2O@Td(19151)-C76: Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies DOI: 10.1002/chem.201500904 Journal: Chem. Eur. J. | * |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | UV-vis-NIR_of_Sc2O@Td(2)-C76 | - |
| dc.date.updated | 2016-03-01T19:17:33Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2012 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C76OSc2 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 4 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Sc2O@Td(19151)-C76: Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100000000/65
Item files in Browse 
HTML5 resume (see conditions inside)