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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Apaloo-Messan, Edmond | |
| dc.date.accessioned | 2025-09-10T16:43:08Z | - |
| dc.date.available | 2025-09-10T18:42:57.354269+02:00 | |
| dc.date.available | 2025-09-10T16:43:08Z | - |
| dc.date.created | 2025-09-10T18:42:57.354269+02:00 | |
| dc.date.issued | 2025-09-10T18:42:57.354269+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/103152 | - |
| dc.description.abstract | 6-31G(d) / Lanl2dz | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-399 | - |
| 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 | /System_S_with_the_silyl_group_ Sd | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | AM64L-G16RevA.03 | |
| cml.method | RB3LYP | |
| cml.basisset | 6-31G(D) LANL2DZ GENECP | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.shelltype | Closed | |
| cml.charge | 0 | |
| cml.energy.value | -1575.17849137 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C22H45BILiO5Si | |
| cml.calculationtype | Geometry optimization Minimum | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 2 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Wittig_vs_Epoxidation_reaction - DOI: 10.19061/iochem-bd-1-399 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/103152
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