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Manuscript title: Coordination of Al(C6F5)3 vs B(C6F5)3 on Group 6 End-On Dinitrogen Complexes: Chemical and Structural Divergences
Journal: Chem. Sci.
DOI: 10.1039/D4SC02713B
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Martins, Frederico | - |
| dc.date.accessioned | 2024-04-10T07:33:24Z | - |
| dc.date.available | 2024-06-14T12:06:56Z | - |
| dc.date.created | 2024-04-10T09:33:22.923+02:00 | - |
| dc.date.issued | 2024-04-10T09:33:22.923+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu/browse/handle/100/5321 | - |
| dc.description | Angle scan B | - |
| dc.publisher | TU Darmstadt | - |
| dc.relation | Original title: Coordination of Al(C6F5)3 vs B(C6F5)3 on Group 6 End-On Dinitrogen Complexes: Chemical and Structural Divergences DOI: 10.1039/D4SC02713B Journal: Chem. Sci. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-76 | - |
| dc.relation.uri | http://dx.doi.org/10.1039/D4SC02713B | * |
| dc.rights | CC BY 4.0 (c) UdG, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Cooperative effects | - |
| dc.subject | Lewis acids | - |
| dc.subject | Transition metals | - |
| dc.subject | Small molecule activation | - |
| dc.subject | Nitrogen fixation | - |
| dc.title | /NNLA_PES ltang_es_w_b | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-04-10T07:33:24Z | - |
| cml.program.name | Orca | en |
| cml.program.version | 5.0.4 | en |
| cml.program.other | RELEASE | en |
| cml.method | DFT | en |
| cml.basisset | def2-TZVP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -4924.34955252 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C45H56BF15N4P4W | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Al_vs_B - DOI: 10.19061/iochem-bd-4-76 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/5321
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