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. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2024 | TS6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1525.64903168; Eh | ||||
28-Feb-2024 | TS5 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1296.69857219; Eh | ||||
28-Feb-2024 | TS2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1294.77359278; Eh | ||||
28-Feb-2024 | TS2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1198.52223612; Eh | ||||
28-Feb-2024 | TS4 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1429.41054896; Eh | ||||
28-Feb-2024 | TS1 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1294.79440795; Eh | ||||
28-Feb-2024 | TS2_sigma_bond_metathesis | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1198.49095308; Eh |
Results 261-267 of 267 (Search time: 0.002 seconds).
Discover
Subject
- 153 Palladium
- 133 Olefination
- 83 Rhodium
- 65 C-C activation
- 38 Arynes
- 38 DFT
- 38 Homogeneous catalysis
- 26 Carbenes
- 26 Lactones
- 18 Catellani Reaction
- next >
Program name
- 267 Gaussian