Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2091.1745847; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene As2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -289.0306113; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1695.9359923; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene P4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -525.1005794; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene_def2TZVPP A15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -2216.0445248; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_SMDbenzene A15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | LANL2MB LANL2DZ | -1323.8600492; Eh | ||||
11-Dec-2023 | /GeomOpt_OLYP_def2TZVPP P4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; ROLYP | DEF2SVPP DEF2TZVPP | -1751.7938004; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1444.5065045; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1444.5307359; Eh | ||||
14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M17 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GENECP GEN | -1493.0227482; Eh |
Results 271-280 of 294 (Search time: 0.003 seconds).
Discover
Subject
- 174 Metathesis
- 174 Olefin metathesis
- 89 Ruthenium
- 55 Carbene ligands
- 55 Ligand design
- 17 Chelates
- 17 Hafnium
- 17 Radiochemistry
- 17 Radiopharmaceuticals
- 17 Titanium
- next >