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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Sep-2023 | /P_radicals/PCy3/PhPCy3-cat PhPCy3-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -1277.6854366; 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 | /P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvp-as-cat | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3036.9153749; Eh | |||
 | 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/dippf/dippf+Ph-rad_TS dippf+Ph-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3036.9855412; Eh | |||
 | 2-Sep-2023 | /P_radicals/dippf/dippf+Ph-cat dippf+Ph-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -3036.928948; Eh | |||
 | 2-Sep-2023 | /P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3037.0105251; Eh | |||
 | 2-Sep-2023 | /P_radicals/dippf/dippf dippf_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -2805.6430488; Eh | |||
 | 2-Sep-2023 | /P_radicals/dppf/dppf+Ph-rad dppf+Ph-rad_tzvp-as-cat | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3488.9995191; Eh | |||
 | 2-Sep-2023 | /P_radicals/dppf/dppf+Ph-rad_TS dppf+Ph-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3489.0731668; Eh |
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