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-rad dppf+Me-rad_tzvp-as-cation | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.4349382; Eh | ||||
2-Sep-2023 | /P_radicals/dppf/dppf+Ph-cat dppf+Ph-cat_tzvp-as-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3489.0952168; Eh | ||||
2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad_TS dppf+Me-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5151141; Eh | ||||
2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad dppf+Me-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5364212; Eh | ||||
2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS4pos mXylene+Me-rad_TS4pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3642614; Eh | ||||
2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS2pos mXylene+Me-rad_TS2pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3659; Eh | ||||
2-Sep-2023 | /P_radicals/dppf/dppf+Me-cat dppf+Me-cat_tzvp-as-radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5306672; Eh | ||||
2-Sep-2023 | /P_radicals/PCy3/PCy3+Ph-rad_TS PCy3+Ph-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.7470684; Eh | ||||
2-Sep-2023 | /P_radicals/PCy3/PhPCy3-rad PhPCy3-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.7729491; Eh | ||||
2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_5pos mXylene+Me-rad_product_5pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.4038576; Eh |
Results 31-40 of 43 (Search time: 0.002 seconds).