ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Ser, Cher Tian | - |
| dc.date.accessioned | 2025-05-06T02:46:27Z | - |
| dc.date.available | 2025-05-06T02:46:27Z | - |
| dc.date.created | 2025-05-05T22:46:25.796555-04:00 | - |
| dc.date.issued | 2025-05-05T22:46:25.796555-04:00 | - |
| dc.identifier.uri | https://iochem-bd.matter.toronto.edu/browse/handle/100/5240 | - |
| dc.description | 3t-tbujohnphos-6omee15-ts-et1-et2 | - |
| dc.publisher | Matter Lab | - |
| dc.rights | CC BY 4.0 (c) Matter Lab, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /3t-tbujohnphos/3t-tbujohnphos-6omee15-ts-et1-et2/3t-tbujohnphos-6omee15-ts-et1-et2-orcasp 3t_tbujohnphos_6omee15_ts_et1_et2 | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-05-06T02:46:27Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.3 | en |
| cml.program.other | RELEASE | en |
| cml.basisset | def2-QZVPP | en |
| cml.basisset | def2-QZVPP/C | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -2304.11261237 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C37H50BO5PPd | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Pd-catalyzed_Protodeboronation_ChemRxiv_v2 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.matter.toronto.edu/browse/handle/100/5240
Item files in Browse 
HTML5 resume (see conditions inside)