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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/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7976639; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.844466; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene_Iabs_prod 2iodomxylene_Iabs_prod_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7651972; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene_Iabs_TS 2iodomxylene_Iabs_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7575175; Eh | |||
 | 2-Sep-2023 | /P_radicals/PPh3/PPh3+Ph-rad_TS PPh3+Ph-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1266.923507; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_TS_5pos 2iodomxylene+Me_rad_TS_5pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7563254; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_TS_2pos 2iodomxylene+Me_rad_TS_2pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7563625; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_prod_4pos 2iodomxylene+Me_rad_prod_4pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -646.7973866; Eh | |||
 | 2-Sep-2023 | /P_radicals/PPh3/PPh4-rad PPh4-rad_tzvp-as-cat | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1266.8477122; Eh | |||
 | 2-Sep-2023 | /P_radicals/PPh3/PPh4-cat PPh4-cat_tzvp-as-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1266.9510636; Eh |
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- 43 Cross-coupling
- 43 Radicals