ioChem-BD Browse module - Item page
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Referenced by:
Manuscript title: Electroreductive Cleavage of C(sp3)–N Bonds in Saturated N-Carbonyl-Heterocycles
Journal: J. Am. Chem. Soc.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Díaz-Ruiz, Marina | |
| dc.date.accessioned | 2025-11-05T08:23:50Z | - |
| dc.date.available | 2026-03-05T11:45:29Z | - |
| dc.date.created | 2025-11-05T09:23:23.773347+01:00 | |
| dc.date.issued | 2025-11-05T09:23:23.773347+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/108067 | - |
| dc.description.abstract | IIIp-1a-MeOAc | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Electroreductive Cleavage of C(sp3)–N Bonds in Saturated N-Carbonyl-Heterocycles Journal: J. Am. Chem. Soc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-405 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | IV-1a-MeOAc | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | AM64L-G16RevA.03 | |
| cml.method | RM062X | |
| cml.basisset | DEF2TZVP | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -911.1896285 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C11H19MgNO3 | |
| cml.calculationtype | Single point Structure | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Electroreductive_Cleavage_of_C(sp3)–N_Bonds_ - DOI: 10.19061/iochem-bd-1-405 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/108067



