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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Li, Yingzi | |
dc.date.accessioned | 2025-07-17T10:41:06Z | - |
dc.date.available | 2025-07-17T12:40:55.981646+02:00 | |
dc.date.available | 2025-07-17T10:41:06Z | - |
dc.date.created | 2025-07-17T12:40:55.981646+02:00 | |
dc.date.issued | 2025-07-17T12:40:55.981646+02:00 | |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/100636 | - |
dc.description.abstract | Sp | |
dc.publisher | Institute of Chemical Research of Catalonia | |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-392 | - |
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 | TS2_m06 | |
dc.type | dataset | |
cml.program.name | Gaussian | |
cml.program.version | 16 | |
cml.program.other | ES64L-G16RevA.03 | |
cml.method | UM06 | |
cml.basisset | GENECP | |
cml.multiplicity | 2 | |
cml.spintype | Unrestricted | |
cml.charge | 0 | |
cml.energy.value | -6507.7987324 | |
cml.energy.units | Eh | |
cml.formula.generic | C58H53BrNO11P2Pd | |
cml.calculationtype | Single point Structure | |
cml.hassolvent | false | |
cml.hasvibrationalfrequencies | false | |
cml.numberofjobs | 1 | |
cml.hasmolecularorbitals | false | |
Appears in Collections: | Pd-Catalyzed Stereospecific Glycosyl Cross-Coupling of Reversed Anomeric Stannanes for Modular Synthesis of Nonclassical C-Glycosides - DOI: 10.19061/iochem-bd-1-392 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/100636