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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-May-2021 | /benchmarking/M06_D3_6_311+Gdp Nidppf2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -8024.6368557; Eh | ||||
30-May-2021 | /benchmarking/M06_D3_6_311+Gdp dppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3258.1495041; Eh | ||||
30-May-2021 | /benchmarking/M06_6_311+Gdp TS_bH_elim | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7650.5321124; Eh | ||||
30-May-2021 | /benchmarking/M06_6_311+Gdp NiBrHdppfstyrene | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7650.5476671; Eh |
Results 111-114 of 114 (Search time: 0.002 seconds).
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Subject
- 69 Cross-coupling
- 69 Halides
- 69 Nickel
- 69 Reaction mechanisms
- 45 C-C coupling
- 45 Oxidation
- 45 Palladium
Program name
- 114 Gaussian
Calculation type