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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 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 M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1948.4886481; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M18 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1948.4987251; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M23 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1147.9645167; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.68657832; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1500.11839356; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.65288902; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1099.58027493; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1099.57755864; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M7 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1498.43183340; Eh |
Results 281-290 of 353 (Search time: 0.001 seconds).
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Subject
- 226 Metathesis
- 226 Olefin metathesis
- 48 Chelates
- 48 Hafnium
- 48 Radiochemistry
- 48 Radiopharmaceuticals
- 48 Titanium
- 48 Zirconium
- 44 Carbene ligands
- 44 Ligand design
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Method
- 118 RHF