ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Mu, Manting | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2022-08-21T23:02:52Z | - |
| dc.date.available | 2023-03-15T22:37:09Z | - |
| dc.date.created | 2022-08-22T01:02:49.836+02:00 | - |
| dc.date.issued | 2022-08-22T01:02:49.836+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/216947 | - |
| dc.description | tetrahedral-stopped | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-317 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Sodium | - |
| dc.subject | Cobalt | - |
| dc.title | /products CoNa2-prod-FH1-2cis2transb | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-08-21T23:02:52Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevD.01 | en |
| cml.basisset | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.energy.value | -3447.73210023 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C36H16CoF16Na2 | 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: | Na_mediated_cobaltallation - DOI: 10.19061/iochem-bd-6-317 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/216947
Item files in Browse 
HTML5 resume (see conditions inside)