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Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Besalú-Sala, Pau | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2022-11-30T11:09:17Z | - |
| dc.date.available | 2022-11-30T11:09:17Z | - |
| dc.date.created | 2022-11-30T12:09:16.198+01:00 | - |
| dc.date.issued | 2022-11-30T12:09:16.198+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4068 | - |
| dc.description | c59npc-acceptor-n+1 | - |
| dc.publisher | University of Girona | - |
| dc.publisher | Institut de Química Computacional i Catàlisi | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-47 | - |
| dc.rights | CC BY 4.0 (c) UdG, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Computational chemistry | - |
| dc.subject | Density functional calculations | - |
| dc.title | c59npc-acceptor-n+1 | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-11-30T11:09:17Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.method | UCAM-B3LYP | en |
| cml.basisset | DEF2SVP | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | -1 | en |
| cml.energy.value | -2300.626372 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C59HN | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | CT-FDB - DOI: 10.19061/iochem-bd-4-47 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4068
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