ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Site-Selective Gold-Catalyzed Alkylation of α-Aminotropones with Allenes
Journal: Org. Lett.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Kiriakidi, Sofia | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-07-29T08:29:44Z | - |
| dc.date.available | 2024-07-29T08:29:44Z | - |
| dc.date.created | 2024-07-29T10:29:42.215566+02:00 | - |
| dc.date.issued | 2024-07-29T10:29:42.215566+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/323624 | - |
| dc.description | gold-allenamine intermediate | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation | Original title: Site-Selective Gold-Catalyzed Alkylation of α-Aminotropones with Allenes DOI: 10.1021/acs.orglett.4c03372 Journal: Org. Lett. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-391 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.orglett.4c03372 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | A | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-07-29T08:29:44Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | UM06 | en |
| cml.basisset | DEF2SVPP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -2160.7008325 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C28H26AuNO2PS | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 5 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Data_for_Site-Selective_Gold_Catalyzed_Alkylation - DOI: 10.19061/iochem-bd-6-391 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/323624
Item files in Browse 
HTML5 resume (see conditions inside)