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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Mateo, Ana | - |
| dc.date.accessioned | 2019-07-17T06:51:36Z | - |
| dc.date.available | 2019-07-17T06:51:36Z | - |
| dc.date.created | 2019-07-17T08:51:35.207+02:00 | - |
| dc.date.issued | 2019-07-17T08:51:35.207+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/20651 | - |
| dc.description | Opt&Freq | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Nickel | - |
| dc.subject | Borylation | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | Aryl Halide | - |
| dc.title | TS-iso1_mono | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-07-17T06:51:36Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RwB97XD | en |
| cml.basisset | LANL2DZ 6-311G** GEN | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -961.912128846 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C9H14FNi1P | en |
| cml.calculationtype | Geometry optimization TS | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Favourable_Martin - DOI: 10.19061/iochem-bd-1-129 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/20651
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