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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Besora, Maria | - |
| dc.date.accessioned | 2015-07-14T10:53:43Z | - |
| dc.date.available | 2015-07-14T10:53:43Z | - |
| dc.date.created | 2015-07-14T12:53:42.196+02:00 | - |
| dc.date.issued | 2015-07-14T12:53:42.196+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29 | - |
| dc.title | P6 | - |
| dc.date.updated | 2015-07-14T10:53:43Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB97D | en |
| cml.basisset | 6-31g* | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -158.340627138 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H10 | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | descriptors/neutral_molecules | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/29
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