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Manuscript title: Diiminium Nucleophile Adducts are Stable and Convenient Strong Lewis Acids
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Mulks, Florian | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-06-30T13:07:35Z | - |
| dc.date.available | 2023-07-10T08:52:55Z | - |
| dc.date.created | 2023-06-30T15:07:32.838+02:00 | - |
| dc.date.issued | 2023-06-30T15:07:32.838+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/304786 | - |
| dc.description | single_points | - |
| dc.publisher | Institute for Organic Chemistry, RWTH Aachen University | - |
| dc.relation | Original title: Diiminium Nucleophile Adducts are Stable and Convenient Strong Lewis Acids DOI: 10.1002/chem.202302089 Journal: Chem. Eur. J. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202302089 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Amides | - |
| dc.subject | Dications | - |
| dc.subject | Carbodications | - |
| dc.subject | Cations | - |
| dc.subject | Organic chemistry | - |
| dc.subject | Lewis acids | - |
| dc.title | DIPy_reduced_DSD-BLYP | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-06-30T13:07:35Z | - |
| 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 | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -553.71661576 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C10H17N3 | 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: | Diiminium Nucleophile Adducts are Stable and Convenient Strong Lewis Acids - DOI: 10.19061/iochem-bd-6-233 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/304786
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