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Manuscript title: Deprotonative C(sp3)/C(sp2)–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP
Journal: Angew. Chem. Int. Ed.
DOI: 10.1002/anie.1774364
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | McGinley, Ana | |
| dc.date.accessioned | 2025-10-21T11:42:50Z | - |
| dc.date.available | 2026-04-19T14:15:10Z | - |
| dc.date.created | 2025-10-21T13:38:17.734897+02:00 | |
| dc.date.issued | 2025-10-21T13:38:17.734897+02:00 | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/479618 | - |
| dc.description.abstract | I8_dimer_conf7 | |
| dc.publisher | Barcelona Supercomputing Center, Trinity College Dublin, University of Bern | |
| dc.relation | Original title: Deprotonative C(sp3)/C(sp2)–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP DOI: 10.1002/anie.1774364 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-596 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.1774364 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | I8_dimer_conf7 | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevC.01 | |
| cml.method | RwB97XD | |
| cml.basisset | 6-31G(D,P) 6-31+G(D,P) GEN | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -2961.34688914 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C44H88N6Si2Na2 | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | NaTMP_multisilylations - DOI: 10.19061/iochem-bd-6-596 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/479618
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