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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2024 | p_Me | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -749.466425728; Eh | ||||
28-Feb-2024 | p_F | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -809.331500034; Eh |
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- 213 Palladium
- 188 Olefination
- 69 C-C activation
- 56 Arynes
- 56 DFT
- 56 Homogeneous catalysis
- 52 Rhodium
- 37 alkylation
- 37 Copper
- 37 isoquinolone
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