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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Artigas, Albert | - |
dc.coverage.spatial | ES Girona | - |
dc.date.accessioned | 2020-10-22T12:21:47Z | - |
dc.date.available | 2021-06-18T12:26:27Z | - |
dc.date.created | 2020-10-22T14:21:46.022+02:00 | - |
dc.date.issued | 2020-10-22T14:21:46.022+02:00 | - |
dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/1554 | - |
dc.description | RC_C70_alpha | - |
dc.publisher | Universitat de Girona (UdG) | - |
dc.publisher | Institut de Química Computacional i Catàlisi (IQCC) | - |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-24 | - |
dc.rights | CC BY 4.0 (c) UdG, 2020 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Fullerenes | - |
dc.subject | Allenes | - |
dc.subject | Cycloaddition | - |
dc.subject | Homogeneous catalysis | - |
dc.title | RC_C70_alpha | - |
dc.type | dataset | - |
dc.date.updated | 2020-10-22T12:21:47Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | ES64L-G09RevE.01 | en |
cml.method | RM062X | en |
cml.basisset | CC-PVTZ | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.energy.value | -3852.4295114 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C85H17NO2S | en |
cml.calculationtype | Single point Structure | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | BISALLENE_FULLERENES - DOI: 10.19061/iochem-bd-4-24 |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/1554