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/PCy3/PhPCy3_TS_cleavage PhPCy3_TS_cleavage_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.7532333; Eh | |||
 | 2-Sep-2023 | /P_radicals/PCy3/PhPCy3-rad PhPCy3-rad_tzvp-as-cation | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.6698114; Eh | |||
 | 2-Sep-2023 | /P_radicals/PCy3/PhPCy3-cat PhPCy3-cat_tzvp-as-radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.7648667; Eh |
Results 41-43 of 43 (Search time: 0.001 seconds).
Discover
Subject
- 43 Cross-coupling
- 43 Radicals
Calculation type