ioChem-BD Browse module - Item page
Item metadata and files
Referenced by:
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 | 2020-02-07T10:51:39Z | - |
dc.date.available | 2020-04-18T17:20:16Z | - |
dc.date.created | 2020-02-07T11:51:38.313+01:00 | - |
dc.date.issued | 2020-02-07T11:51:38.313+01:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/22881 | - |
dc.description | Br_2 | - |
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-1-152 | - |
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 | /Multi_Br/Ir/Add_CH/Br_2 Br_2 | - |
dc.type | dataset | - |
dc.date.updated | 2020-02-07T10:51:39Z | - |
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 | -325.62922636 | en |
cml.energy.units | eV | en |
cml.formula.generic | CHBr2Ir36 | en |
cml.calculationtype | Geometry optimization | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | CH2Br2_Hydrodebromination_Additional - DOI: 10.19061/iochem-bd-1-152 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/22881