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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Pérez-Soto, Raúl | - |
| dc.date.accessioned | 2022-02-11T20:52:26Z | - |
| dc.date.available | 2022-05-21T11:38:07Z | - |
| dc.date.created | 2022-02-11T21:52:25.2+01:00 | - |
| dc.date.issued | 2022-02-11T21:52:25.2+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/36530 | - |
| dc.description | Lowest Conformer | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Silicon | - |
| dc.subject | Copper | - |
| dc.subject | Nitrene | - |
| dc.subject | Hydrogen transfer | - |
| dc.title | HNSi_s_v1_SP | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-02-11T20:52:26Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | DEF2TZVP GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1476.4103607 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C15H19NO2SiS | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Introducing the Catalytic Amination of Silanes via Nitrene Insertion - DOI: 10.19061/iochem-bd-1-233 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/36530
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