Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Escayola, Silvia | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2023-03-25T23:45:33Z | - |
| dc.date.available | 2023-03-25T23:45:33Z | - |
| dc.date.created | 2023-03-26T00:45:31.715+01:00 | - |
| dc.date.issued | 2023-03-26T00:45:31.715+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4330 | - |
| dc.description | 19H+-1,4-Diphosphorin_H+ | - |
| dc.publisher | University of Kragujevac | - |
| dc.publisher | Universitat de Girona | - |
| dc.publisher | Uppsala University | - |
| dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Photophysics | - |
| dc.subject | Aromaticity | - |
| dc.subject | Heterocycles | - |
| dc.title | /GROUP_B/Triplet 19H+-1,4-Diphosphorin_H+ | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-03-25T23:45:33Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevB.01 | en |
| cml.method | UCAM-B3LYP | en |
| cml.basisset | 6-311+G(D,P) | en |
| cml.multiplicity | 3 | en |
| cml.spintype | Unrestricted | en |
| cml.charge | 1 | en |
| cml.energy.value | -837.6646639 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H5P2 | 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: | nπ*_states_of_heteroaromatics - DOI: 10.19061/iochem-bd-4-51 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4330
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