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Manuscript title: La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Poblet, Josep M. | - |
| dc.date.accessioned | 2016-03-18T16:30:08Z | - |
| dc.date.available | 2016-03-18T16:30:08Z | - |
| dc.date.created | 2016-03-18T17:30:07.19+01:00 | - |
| dc.date.issued | 2016-03-18T17:30:07.19+01:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/75 | - |
| dc.description | LaC92 | - |
| dc.relation | Original title: La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors? DOI: 10.1021/acs.inorgchem.5b02414 Journal: Inorg. Chem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-2 | - |
| dc.rights | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | IPR_36 | - |
| dc.date.updated | 2016-03-18T16:30:08Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2012 | en |
| cml.program.other | 01 | en |
| cml.method | DFT | en |
| cml.basisset | TZP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -30.80487066 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C92La3N | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 4 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors? - DOI: 10.19061/iochem-bd-2-2 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/75
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