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 | /Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.083739877; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_4pos mXylene+Me-rad_product_4pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.081956305; Eh | |||
 | 2-Sep-2023 | /P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -3035.49095192; Eh | |||
 | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad dppf+Me-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -3295.85569427; Eh | |||
 | 2-Sep-2023 | /P_radicals/PCy3/PhPCy3-rad PhPCy3-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -1276.81260375; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_5pos mXylene+Me-rad_product_5pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.078478673; Eh |
Results 11-16 of 16 (Search time: 0.001 seconds).
Discover
Subject
- 16 Cross-coupling
- 16 Radicals