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Referenced by:
Manuscript title: Laser-induced nitrogen fixation
Journal: Nat. Commun.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Seemakurthi, Ranga Rohit | - |
| dc.date.accessioned | 2023-06-30T12:09:03Z | - |
| dc.date.available | 2023-09-12T07:54:25Z | - |
| dc.date.created | 2023-06-30T14:09:01.892+02:00 | - |
| dc.date.issued | 2023-06-30T14:09:01.892+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/61393 | - |
| dc.description | NEB of adatom movement | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Laser-induced nitrogen fixation DOI: 10.1038/s41467-023-41441-0 Journal: Nat. Commun. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-283 | - |
| dc.relation.uri | http://dx.doi.org/10.1038/s41467-023-41441-0 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Li2O/211/adatom/NEB NEB | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-06-30T12:09:03Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -589.49325884 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Li80O40 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 8 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Laser-induced nitrogen fixation - DOI: 10.19061/iochem-bd-1-283 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/61393
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