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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M22 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -924.605799751; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M16 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -923.413063783; Eh |
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- 226 Metathesis
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- 66 Homogeneous catalysis
- 44 Carbene ligands
- 44 Ligand design
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- 134 RHF