Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2017 | /wB97xD Fluorobenzene | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | - | -331.465126634; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp NiCODdppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -5079.2464923; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp Nidppf2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -8026.0897768; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp dppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -3258.8386869; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp COD | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -312.021771; Eh |
Results 31-35 of 35 (Search time: 0.002 seconds).
Discover
Subject
- 35 Cross-coupling
- 31 Aryl
- 31 Boranes
- 31 borilation
- 4 Halides
- 4 Homogeneous catalysis