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Manuscript title: Synthesis, structure and bonding of actinide disulphide dications in the gas phase
Journal: PCCP
DOI: 10.1039/c7cp01446e
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bandeira, Nuno | - |
| dc.date.accessioned | 2017-02-28T11:55:56Z | - |
| dc.date.available | 2017-04-07T08:23:00Z | - |
| dc.date.created | 2017-02-28T12:55:55.419+01:00 | - |
| dc.date.issued | 2017-02-28T12:55:55.419+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/1930 | - |
| dc.description | CASPT(6,8) Optimisation | - |
| dc.publisher | Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, 2695-066 Bobadela LRS, Portugal; | - |
| dc.publisher | Institute of Chemical Research of Catalonia; | - |
| dc.relation | Original title: Synthesis, structure and bonding of actinide disulphide dications in the gas phase DOI: 10.1039/c7cp01446e Journal: PCCP | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-30 | - |
| 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.subject | CASPT2 | - |
| dc.subject | Actinides | - |
| dc.subject | Multi-configurational calculations | - |
| dc.subject | Thioactinyls | - |
| dc.title | /PuS2(2+)/S=0 triangular_S=0_ | - |
| dc.type | dataset | - |
| dc.date.updated | 2017-02-28T11:55:56Z | - |
| cml.program.name | Molcas | en |
| cml.program.version | v8.0.14-09-21 | en |
| cml.method | CASSCF | en |
| cml.method | CASPT2 | en |
| cml.basisset | ANO-RCC | en |
| cml.multiplicity | 1 | en |
| cml.charge | 2 | en |
| cml.formula.generic | PuS2 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | AnS2(2+)_cations - DOI: 10.19061/iochem-bd-1-30 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/1930
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