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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bru, Gerard | - |
| dc.coverage.spatial | ES Tarragona Tarragona | - |
| dc.date.accessioned | 2022-07-13T08:10:55Z | - |
| dc.date.available | 2022-07-13T08:10:55Z | - |
| dc.date.created | 2022-07-13T10:10:54.07+02:00 | - |
| dc.date.issued | 2022-07-13T10:10:54.07+02:00 | - |
| dc.identifier.uri | https://iochem-bd.urv.es/browse/handle/100/1064 | - |
| dc.description | Borylated intermediate of the Z path | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-2-58 | - |
| dc.rights | CC BY 4.0 (c) Universitat Rovira i Virgili, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Transition-metal-free | - |
| dc.subject | Hydroboration | - |
| dc.subject | Boron | - |
| dc.subject | Dienes | - |
| dc.subject | Borates | - |
| dc.title | /(E)-buta-1,3-diene-1,3-diyldibenzene_Mechanism 1,3-diphenyl_Z-path_I1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-07-13T08:10:55Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | RB3LYP | en |
| cml.basisset | 6-311G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -1029.81868831 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C22H26BO2 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Borylation_Dienes_Gerard_Bru - DOI: 10.19061/iochem-bd-2-58 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.urv.es/browse/handle/100/1064
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