ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Siver-Free Au(I) Catalysis Enabled by Bifunctional Urea- and Squaramide-Phosphine Ligands via H-bonding
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Martí Zaragoza, Àlex | - |
| dc.date.accessioned | 2024-09-20T15:26:50Z | - |
| dc.date.available | 2024-09-20T15:26:50Z | - |
| dc.date.created | 2024-09-20T17:26:48.473053+02:00 | - |
| dc.date.issued | 2024-09-20T17:26:48.473053+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/95067 | - |
| dc.description | triple H-bond to AuCl, intermediate before activation | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Siver-Free Au(I) Catalysis Enabled by Bifunctional Urea- and Squaramide-Phosphine Ligands via H-bonding DOI: 10.1002/chem.202101751 Journal: Chem. Eur. J. | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-350 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202101751 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | int_IIa | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-09-20T15:26:49Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | GENECP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -3506.94342129 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C41H30ClF6AuN3O3P | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Silver-free_gold(I)_catalysis - DOI: 10.19061/iochem-bd-1-350 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/95067
Item files in Browse 
HTML5 resume (see conditions inside)