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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Aug-2019 | CsCuIF | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-311G** GEN | -327.491016882; Eh | |||
| 30-Aug-2019 | CuIF | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-311G** GEN | -307.631907640; Eh | |||
 | 21-Oct-2021 | SiW10_mono-Prod1a | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | Me-NH2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | SiW10-di-Prod-folded | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | P2W7-mono-Folded | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | P2W17-di-Open | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | P2W17 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Oct-2021 | decaborate | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | -4.32020304; Eh | |||
 | 21-Oct-2021 | SiW10_mono-Prod1b | Mateo, Ana | ADF; 2016 | Geometry optimization | BP86 | TZP | - |
Results 201-210 of 223 (Search time: 0.002 seconds).
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Subject
- 194 Homogeneous catalysis
- 194 Nickel
- 111 Benzofuran
- 111 Borylations
- 111 Diboron activation
- 111 Nickel Catalysis
- 83 Borylation
- 65 Aryl Halides
- 65 Boranes
- 65 Copper
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