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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Artigas, Albert | - |
| dc.date.accessioned | 2024-07-30T10:55:32Z | - |
| dc.date.available | 2024-10-08T09:36:05Z | - |
| dc.date.created | 2024-07-30T12:55:31.538785+02:00 | - |
| dc.date.issued | 2024-07-30T12:55:31.538785+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu/browse/handle/100/6264 | - |
| dc.description | 04_IX_opt_freq | - |
| dc.publisher | UdG | - |
| dc.rights | CC BY 4.0 (c) UdG, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | 04_IX_opt_freq | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-07-30T10:55:32Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevB.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | CC-PVDZ GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 1 | en |
| cml.energy.value | -3442.16855801 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C51H45NO3P2RhS | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | 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/100/6264
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