ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Bulky ligands promote palladium-catalysed protodeboronation
Journal: Chem
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ser, Cher Tian | - |
| dc.date.accessioned | 2024-08-06T22:48:48Z | - |
| dc.date.available | 2024-08-08T16:12:46Z | - |
| dc.date.created | 2024-08-06T18:48:46.760298-04:00 | - |
| dc.date.issued | 2024-08-06T18:48:46.760298-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/2085 | - |
| dc.description | 2c-pph3-08-c3-boh3-opt | - |
| dc.publisher | Matter Lab | - |
| dc.relation | Original title: Bulky ligands promote palladium-catalysed protodeboronation DOI: 10.26434/chemrxiv-2024-cw8cs Journal: Chem | * |
| dc.relation.uri | http://dx.doi.org/10.26434/chemrxiv-2024-cw8cs | * |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /2c-pph3/2c-pph3-08-c3-boh3 2c-pph3-08-c3-boh3-opt | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-08-06T22:48:48Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevC.01 | en |
| cml.method | RPBEPBE | en |
| cml.basisset | DEF2SVP DEF2SVP/W06 | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -1951.28028449 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C28H28BO5PPd | 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: | Pd-catalysed_Protodeboronation | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/2085
Item files in Browse 
HTML5 resume (see conditions inside)