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Referenced by:
Manuscript title: Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism
Journal: Chem. Sci.
DOI: 10.1039/c9sc03453f
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Artus Suarez, Lluis | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2019-06-24T12:36:36Z | - |
| dc.date.available | 2019-11-21T10:15:51Z | - |
| dc.date.created | 2019-06-24T14:36:33.956+02:00 | - |
| dc.date.issued | 2019-06-24T14:36:33.956+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/193755 | - |
| dc.description | Mo-9a-alt2 | - |
| dc.publisher | Hylleraas Centre for Quantum Molecular Sciences | - |
| dc.relation | Original title: Highly selective hydrogenation of amides catalysed by a molybdenum pincer complex: scope and mechanism DOI: 10.1039/c9sc03453f Journal: Chem. Sci. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-17 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/c9sc03453f | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Amides | - |
| dc.subject | Reaction mechanisms | - |
| dc.subject | Molybdenum | - |
| dc.title | Mo-9a-alt2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-06-24T12:36:36Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevD.01 | en |
| cml.method | RM06 | en |
| cml.basisset | 6-31+G** GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1940.46273311 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C19H40MoNO3P2Na | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a - DOI: 10.19061/iochem-bd-6-17 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/193755
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