Referenced by:
Manuscript title: The Janus face of high trans-effect carbenes in olefin metathesis: Gateway to both productivity and decomposition.
Journal: Chem. Sci.
DOI: 10.1039/D2SC00855F
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Occhipinti, Giovanni | - |
dc.contributor.author | Foscato, Marco | - |
dc.contributor.author | Jensen, Vidar R. | - |
dc.coverage.spatial | ES Barcelona Barcelona | - |
dc.date.accessioned | 2021-10-15T06:56:58Z | - |
dc.date.available | 2022-03-10T14:10:25Z | - |
dc.date.created | 2021-10-15T08:56:55.648+02:00 | - |
dc.date.issued | 2021-10-15T08:56:55.648+02:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/199747 | - |
dc.description | single point energy | - |
dc.publisher | University of Bergen | - |
dc.publisher | Barcelona Supercomputing Center | - |
dc.relation | Original title: The Janus face of high trans-effect carbenes in olefin metathesis: Gateway to both productivity and decomposition. DOI: 10.1039/D2SC00855F Journal: Chem. Sci. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-113 | - |
dc.relation.uri | http://dx.doi.org/10.1039/D2SC00855F | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2021 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Olefin metathesis | - |
dc.subject | Metathesis | - |
dc.title | /SP_M06L_GD3_CHCl3 M59 | - |
dc.type | dataset | - |
dc.date.updated | 2021-10-15T06:56:58Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevC.01 | en |
cml.method | RM06L | en |
cml.basisset | GEN | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -2082.10584337 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C26H35Cl2NRu | 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: | beta_H_elimination_NHC_vs_CAAC - DOI: 10.19061/iochem-bd-6-113 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/199747