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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1492.9893135; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M14 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1491.3064571; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -1491.32005065; Eh |
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Subject
- 23 Chelates
- 23 Hafnium
- 23 Radiochemistry
- 23 Zirconium
Method
- 17 RHF