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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hosseini, Farzaneh | |
| dc.date.accessioned | 2025-11-12T12:10:52Z | - |
| dc.date.available | 2025-11-12T13:10:38.117525+01:00 | |
| dc.date.available | 2025-11-12T12:10:52Z | - |
| dc.date.created | 2025-11-12T13:10:38.117525+01:00 | |
| dc.date.issued | 2025-11-12T13:10:38.117525+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/108081 | - |
| dc.description.abstract | Geom Opt for Tc2OCl8_2H2O in singlet state | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| 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 | /Tc2OCln-2H2O/Tc2OCl8_2H2O/Tc2OCl8_2H2O_singlet Tc2OCl8_2H2O_singlet | |
| dc.type | dataset | |
| cml.program.name | AMS | |
| cml.program.version | 2021.101 | |
| cml.program.other | r94406 | |
| cml.method | PBE | |
| cml.multiplicity | 1 | |
| cml.spintype | UNrestricted | |
| cml.charge | -2 | |
| cml.energy.value | -89.472859 | |
| cml.energy.units | eV | |
| cml.formula.generic | H4Cl8O3Tc2 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Tc_dimer_POMs_dimer_and_Chain | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/108081
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