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Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | montilla, marc | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2023-02-09T09:17:52Z | - |
| dc.date.available | 2023-02-09T09:17:52Z | - |
| dc.date.created | 2023-02-09T10:17:50.742+01:00 | - |
| dc.date.issued | 2023-02-09T10:17:50.742+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4164 | - |
| dc.description | Compound 6, considering 1 Lithium cation. | - |
| dc.publisher | UdG | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-52 | - |
| dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Compound6_1Li | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-02-09T09:17:52Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevB.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | DEF2SVP | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -3395.51738378 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C48H52ClLiN4Ti | 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: | Titanium_PDA - DOI: 10.19061/iochem-bd-4-52 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4164
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