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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Artigas, Albert | - |
dc.date.accessioned | 2024-07-30T10:55:45Z | - |
dc.date.available | 2024-10-08T09:36:06Z | - |
dc.date.created | 2024-07-30T12:55:43.634662+02:00 | - |
dc.date.issued | 2024-07-30T12:55:43.634662+02:00 | - |
dc.identifier.uri | https://iochem.udg.edu/browse/handle/100/6268 | - |
dc.description | 01_XI_aq_spe | - |
dc.publisher | UdG | - |
dc.rights | CC BY 4.0 (c) UdG, 2024 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | 01_XI_aq_spe | - |
dc.type | dataset | - |
dc.date.updated | 2024-07-30T10:55:45Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevA.03 | en |
cml.method | RM06L | en |
cml.basisset | CC-PVTZ GEN | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 1 | en |
cml.energy.value | -3595.4360769 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C51H49NO5P2RhS | 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: | c60_allenyne |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/6268