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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 M15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1493.0208662; Eh | |||
![]() | 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 |
Results 131-134 of 134 (Search time: 0.002 seconds).
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Subject
- 111 Metathesis
- 111 Olefin metathesis
- 25 Carbene ligands
- 25 Ligand design
- 25 Ruthenium
- 23 Chelates
- 23 Hafnium
- 23 Radiochemistry
- 23 Radiopharmaceuticals
- 23 Titanium
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Program name
- 134 Gaussian
Method
- 118 RHF