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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-cat dppf+Me-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -3297.44889; Eh | |||
 | 2-Sep-2023 | /P_radicals/PCy3/PCy3 PCy3_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -1046.402084; Eh | |||
 | 2-Sep-2023 | /P_radicals/dppf/dppf+Ph-cat dppf+Ph-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -3489.0117161; Eh | |||
 | 2-Sep-2023 | /P_radicals/PPh3/PPh4-cat PPh4-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -1266.8584273; Eh | |||
 | 2-Sep-2023 | /P_radicals/dppf/dppf dppf_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -3257.7291348; Eh | |||
 | 2-Sep-2023 | /common/iodobenzene iodobenzene_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -528.4234603; Eh |
Results 701-706 of 706 (Search time: 0.002 seconds).
Discover
Subject
- 278 C-H activation
- 278 Olefination
- 278 Palladium
- 60 Homogeneous catalysis
- 47 Gold
- 47 Perfluorinated solvents
- 47 Solvent effects
- 13 Cross-coupling
- 13 Radicals
Method
- 12 RB3LYP