ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Planar Chiral 1,3-Disubstituted Ferrocenyl Phosphine Gold(I) Catalysts
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Escofet, Imma | - |
| dc.date.accessioned | 2022-02-21T08:08:25Z | - |
| dc.date.available | 2022-02-21T08:08:25Z | - |
| dc.date.created | 2022-02-21T09:08:24.397+01:00 | - |
| dc.date.issued | 2022-02-21T09:08:24.397+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/37215 | - |
| dc.description | Int1_pCl | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Planar Chiral 1,3-Disubstituted Ferrocenyl Phosphine Gold(I) Catalysts DOI: 10.1021/acscatal.1c05827 Journal: ACS Catal. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-235 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.1c05827 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Ligand design | - |
| dc.subject | Enantioselectivity | - |
| dc.title | Int1_pCl | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-02-21T08:08:25Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RBP86 | en |
| cml.basisset | 6-31G* SDD LANL2DZ GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 1 | en |
| cml.energy.value | -3575.18681249 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C57H62ClF6AuFeO2P | 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: | Ferrocenyl_Chiral_Gold(I)_Complexes - DOI: 10.19061/iochem-bd-1-235 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/37215
Item files in Browse 
HTML5 resume (see conditions inside)