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| 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_4pos mXylene+Me-rad_product_4pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.4058522; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS5pos mXylene+Me-rad_TS5pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3628763; Eh | |||
 | 2-Sep-2023 | /P_radicals/dippf/dippf+Ph-cat dippf+Ph-cat_tzvp-as-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3037.0076917; 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/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/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 |
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