ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Galvao, Tiago | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2019-01-15T13:56:31Z | - |
| dc.date.available | 2019-01-15T13:56:31Z | - |
| dc.date.created | 2019-01-15T14:56:29.014+01:00 | - |
| dc.date.issued | 2019-01-15T14:56:29.014+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/192953 | - |
| dc.description | 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-(1,2,4-TRIAZOLE-1-YL-METHYL)PENTANE-3-OL dimer | - |
| dc.publisher | Barcelona Supercomputing Center | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | i3 | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-01-15T13:56:31Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevD.01 | en |
| cml.method | RM062X | en |
| cml.spintype | Restricted | 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: | DataCor-Dimers | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/192953
Item files in Browse 
HTML5 resume (see conditions inside)