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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/Benzene+Me-rad_product benzene_Me-rad_product_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -39.7888613; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -271.8083226; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Me_radical Me_radical_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -39.7888613; 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 | /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 | /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 | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.4070556; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7569531; Eh | |||
 | 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 |
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- 43 Cross-coupling
- 43 Radicals