Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Petter, Dunås | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2020-02-27T12:49:17Z | - |
| dc.date.available | 2020-02-27T12:49:17Z | - |
| dc.date.created | 2020-02-27T13:49:14.242+01:00 | - |
| dc.date.issued | 2020-02-27T13:49:14.242+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/194190 | - |
| dc.description | TS1 with one bidentate acetate ligand | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS1_bidentate_OAc | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-02-27T12:49:16Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevB.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | GEN | en |
| cml.spintype | Restricted | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Palladium catalyzed stereospecific arylation of biocatalytically de-rived cyclic 1,3-dienes: Chirality transfer via a Heck-type mechanism. Supporting information. - DOI: 10.19061/iochem-bd-6-23 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/194190
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