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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 | 2023-05-03T14:07:55Z | - |
| dc.date.available | 2023-07-10T08:52:57Z | - |
| dc.date.created | 2023-05-03T16:07:54.184+02:00 | - |
| dc.date.issued | 2023-05-03T16:07:54.184+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/292221 | - |
| dc.description | single_points | - |
| dc.publisher | Institute for Organic Chemistry (iOC), RWTH Aachen University; Aachen, Germany. | - |
| dc.publisher | Department of Chemistry, University of Jyvaskyla; Jyväskylä, Finland. | - |
| 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 | Carbocations | - |
| dc.subject | Lewis acids | - |
| dc.subject | Dications | - |
| dc.title | B2-TS_sp | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-05-03T14:07:55Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.3 | en |
| cml.program.other | RELEASE | en |
| cml.method | DLPNO-CCSD(T) | en |
| cml.basisset | aug-cc-pVTZ | en |
| cml.basisset | aug-cc-pVTZ/C | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -1756.00429870 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C16H20F3N4O3S | 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/100/292221
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