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Manuscript title: Hexafluoroisopropanol(HFIP)-selective_intramolecular_synthesis_of_heterocycles_by_single electron transfer
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Xie, Jiale | - |
| dc.date.accessioned | 2024-04-30T10:42:40Z | - |
| dc.date.available | 2024-04-30T10:46:35Z | - |
| dc.date.created | 2024-04-30T12:42:38.886952+02:00 | - |
| dc.date.issued | 2024-04-30T12:42:38.886952+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/68734 | - |
| dc.description | TS12 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Hexafluoroisopropanol(HFIP)-selective_intramolecular_synthesis_of_heterocycles_by_single electron transfer | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-327 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | TS12 | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-04-30T10:42:40Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | UM06 | en |
| cml.basisset | DEF2TZVP | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.energy.value | -1127.4434353 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H2F9O | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Hexafluoroisopropanol(HFIP)-selective_intramolecular_synthesis_of_heterocycles_by_single electron transfer - DOI: 10.19061/iochem-bd-1-327 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/68734
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