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Manuscript title: Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Garcia, Sergio Pablo | - |
| dc.date.accessioned | 2020-01-24T11:08:16Z | - |
| dc.date.available | 2020-02-17T16:05:00Z | - |
| dc.date.created | 2020-01-24T12:08:15.444+01:00 | - |
| dc.date.issued | 2020-01-24T12:08:15.444+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/22237 | - |
| dc.description | fcc | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning DOI: 10.1021/acscatal.0c00679 Journal: ACS Catal. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-150 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.0c00679 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /opt_freq/Pt/Br fcc | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-01-24T11:08:16Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -202.91785185 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | BrPt36 | en |
| cml.calculationtype | Frequencies | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | CH2Br2_Hydrodebromination - DOI: 10.19061/iochem-bd-1-150 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/22237
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