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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 M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -2293.56842727; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -2293.57735186; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1491.42555814; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1491.41980286; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.67208695; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.67764544; 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 M25 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.5546296; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M7 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1498.2794375; Eh | |||
![]() | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -1499.99123310; Eh |
Results 331-340 of 353 (Search time: 0.002 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