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Referenced by:
Manuscript title: Lewis Acid-Promoted Oxidative Addition at a [Ni0(diphosphine)2] Complex: The Critical Role of a Secondary Coordination Sphere
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Nelson, David | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2021-10-04T12:49:04Z | - |
| dc.date.available | 2021-10-04T12:49:04Z | - |
| dc.date.created | 2021-10-04T14:49:01.914+02:00 | - |
| dc.date.issued | 2021-10-04T14:49:01.914+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/199538 | - |
| dc.description | C-dnppe | - |
| dc.publisher | University of Strathclyde (DJN) | - |
| dc.publisher | University of Windsor (JAZ, BJHA, MCD, MWD) | - |
| dc.publisher | Canadian Light Source, Inc. (DMS) | - |
| dc.relation | Original title: Lewis Acid-Promoted Oxidative Addition at a [Ni0(diphosphine)2] Complex: The Critical Role of a Secondary Coordination Sphere DOI: 10.1002/chem.202103121 Journal: Chem. Eur. J. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-110 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202103121 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Nickel | - |
| dc.subject | catalysis | - |
| dc.subject | organometallic chemistry | - |
| dc.title | /dnppe_system C-dnppe | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-10-04T12:49:04Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.01 | en |
| cml.method | RM06 | en |
| cml.basisset | 6-311+G(D,P) GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -4221.5454238 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C34H69INiP4 | 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: | Drover_OA_Paper - DOI: 10.19061/iochem-bd-6-110 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/199538
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