Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Galvao, Tiago | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2019-01-15T14:30:52Z | - |
dc.date.available | 2019-01-15T14:30:52Z | - |
dc.date.created | 2019-01-15T15:30:49.808+01:00 | - |
dc.date.issued | 2019-01-15T15:30:49.808+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/192963 | - |
dc.description | 3-AMINO 1-H,1,2,4-TRIAZOLE CARBOXYLATE 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 | i23 | - |
dc.type | dataset | - |
dc.date.updated | 2019-01-15T14:30:52Z | - |
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/100/192963