ioChem-BD Browse module - Item page
Item metadata and files
Referenced by:
Manuscript title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts
Journal: J. Am. Chem. Soc.
DOI: 10.1021/jacs.1c04424
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Foscato, Marco | - |
dc.coverage.spatial | ES Barcelona Barcelona | - |
dc.date.accessioned | 2021-02-28T10:07:06Z | - |
dc.date.available | 2021-05-28T16:15:33Z | - |
dc.date.created | 2021-02-28T11:07:04.353+01:00 | - |
dc.date.issued | 2021-02-28T11:07:04.353+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/197341 | - |
dc.description | single point energy | - |
dc.publisher | University of Bergen | - |
dc.relation | Original title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts DOI: 10.1021/jacs.1c04424 Journal: J. Am. Chem. Soc. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-79 | - |
dc.relation.uri | http://dx.doi.org/10.1021/jacs.1c04424 | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2021 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /SP_PBEPBE_GD3MBJ_CHCl3 M61 | - |
dc.type | dataset | - |
dc.date.updated | 2021-02-28T10:07:06Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevC.01 | en |
cml.method | RPBEPBE | en |
cml.basisset | GENECP | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -3925.46565228 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C46H58Cl4N2Ru2 | en |
cml.calculationtype | Single point Structure | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | BMC - DOI: 10.19061/iochem-bd-6-79 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/197341