Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ortuño Maqueda, Manuel Angel | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2022-10-14T09:16:18Z | - |
dc.date.available | 2022-11-25T09:31:06Z | - |
dc.date.created | 2022-10-14T11:16:14.715+02:00 | - |
dc.date.issued | 2022-10-14T11:16:14.715+02:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/248605 | - |
dc.description | Structure II | - |
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 | /Si-H_vibrations II | - |
dc.type | dataset | - |
dc.date.updated | 2022-10-14T09:16:18Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevC.01 | en |
cml.method | UB3LYP | en |
cml.basisset | SDD 6-31+G(D,P) 6-31G(D,P) GEN | en |
cml.multiplicity | 4 | en |
cml.spintype | Unrestricted | en |
cml.shelltype | open | en |
cml.charge | 1 | en |
cml.energy.value | -1639.13138004 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C19H24CoN3O4Si | en |
cml.calculationtype | Single point Structure | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Co_terp_silanes - DOI: 10.19061/iochem-bd-6-125 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/248605