Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | OH, Young-Ho | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2022-02-11T11:26:24Z | - |
| dc.date.available | 2022-02-11T11:26:24Z | - |
| dc.date.created | 2022-02-11T12:26:21.427+01:00 | - |
| dc.date.issued | 2022-02-11T12:26:21.427+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/215354 | - |
| dc.description | Cartesian coordinates of Complex III (gas phase) | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | Cartesian_coordinates_of_Complex_III_(gas_phase) | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-02-11T11:26:24Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevA.02 | en |
| cml.method | RwB97XD | en |
| cml.basisset | 6-311G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 1 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | CD-Scientific Report - DOI: 10.19061/iochem-bd-6-124 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/215354
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