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Manuscript title: In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Skjelstad, Bastian Bjerkem | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2024-01-31T11:50:35Z | - |
| dc.date.available | 2024-05-17T13:08:28Z | - |
| dc.date.created | 2024-01-31T12:50:33.579+01:00 | - |
| dc.date.issued | 2024-01-31T12:50:33.579+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/319133 | - |
| dc.description | Li@calix[4]pyrrole EDA ionic scheme | - |
| dc.publisher | Jilin University | - |
| dc.publisher | University of Oxford | - |
| dc.publisher | Cooch Behar Panchanan Barma University | - |
| dc.relation | Original title: In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole DOI: 10.1002/chem.202400448 Journal: Chem. Eur. J. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-336 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202400448 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2024 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /EDA C4PLi_EDA_ionic | - |
| dc.type | dataset | - |
| dc.date.updated | 2024-01-31T11:50:35Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2019 | en |
| cml.program.other | 303 | en |
| cml.method | en | |
| cml.multiplicity | 2 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C20H20LiN4 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | li_calix3pyrrole - DOI: 10.19061/iochem-bd-6-336 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/319133
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