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Manuscript title: Electronic properties and redox chemistry of N-confused metalloporphyrins
Journal: J. Porphyrins Phthalocyanines
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Martins, Frederico | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2023-03-29T12:39:35Z | - |
| dc.date.available | 2023-11-03T10:03:54Z | - |
| dc.date.created | 2023-03-29T14:39:33.821+02:00 | - |
| dc.date.issued | 2023-03-29T14:39:33.821+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4450 | - |
| dc.description | /users/fmartins/porph/monomers_DMF/bondorders_and_uv | - |
| dc.publisher | UdG | - |
| dc.publisher | IQCC | - |
| dc.relation | Original title: Electronic properties and redox chemistry of N-confused metalloporphyrins DOI: 10.1142/S1088424623500918 Journal: J. Porphyrins Phthalocyanines | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-55 | - |
| dc.relation.uri | http://dx.doi.org/10.1142/S1088424623500918 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Ligand effects | - |
| dc.subject | N-confused porphyrins | - |
| dc.subject | Metalloporphyrins | - |
| dc.subject | Electronic structure | - |
| dc.subject | Porphyrinoids | - |
| dc.title | /uv opt_ncpDMF_3dep_DMF | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-03-29T12:39:35Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 304 | en |
| cml.method | S12g-x PBEc | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 1 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | -3 | en |
| cml.formula.generic | C23H18N5O | en |
| cml.calculationtype | Geometry optimization Quild | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | TM_NCP_complexes - DOI: 10.19061/iochem-bd-4-55 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4450
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