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Manuscript title: Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study.
Journal: Chem. Eur. J.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Artigas, Albert | - |
| dc.coverage.spatial | ES Girona Girona | - |
| dc.date.accessioned | 2019-10-03T12:57:48Z | - |
| dc.date.available | 2019-10-03T12:57:48Z | - |
| dc.date.created | 2019-10-03T14:57:46.804+02:00 | - |
| dc.date.issued | 2019-10-03T14:57:46.804+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/1063 | - |
| dc.publisher | Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, C/Maria AurèliaCapmany 69, 17003 Girona, Catalonia, Spain. | - |
| dc.relation | Original title: Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study. DOI: 10.1002/chem.201802298 Journal: Chem. Eur. J. | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.201802298 | - |
| dc.rights | CC BY 4.0 (c) UdG, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /OPTFREQ CATALYST | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-10-03T12:57:48Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | AM64L-G09RevD.01 | en |
| cml.method | RB3LYP | en |
| cml.basisset | cc-pVDZ | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 1 | en |
| cml.energy.value | -1414.66453140 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C16H20P2Rh | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | C60_OPENCAGE | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/1063
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