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Referenced by:
Manuscript title: Covalent Bonding and Extreme Shielding in Xenon–Icosagen Fluoride Cations
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Castro, Abril C. | |
| dc.date.accessioned | 2025-08-08T10:36:41Z | - |
| dc.date.available | 2025-11-08T13:14:30Z | - |
| dc.date.created | 2025-08-08T12:35:07.992094+02:00 | |
| dc.date.issued | 2025-08-08T12:35:07.992094+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/473000 | - |
| dc.description.abstract | optimization | |
| dc.publisher | University of Oslo | |
| dc.relation | Original title: Covalent Bonding and Extreme Shielding in Xenon–Icosagen Fluoride Cations | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-567 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | 1a | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | EM64L-G16RevB.01 | |
| cml.method | RMP2-FC | |
| cml.basisset | GEN | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | 1 | |
| cml.energy.value | -769.048416060 | |
| cml.energy.units | Eh | |
| cml.formula.generic | AlF2Xe | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Xenon-icosagen_flouride_cations - DOI: 10.19061/iochem-bd-6-567 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/473000
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