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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 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -271.598100734; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TS | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -271.560396688; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Me_radical Me_radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -39.7493930418; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.083739877; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS4pos mXylene+Me-rad_TS4pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -350.042470751; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS2pos mXylene+Me-rad_TS2pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -350.044607696; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS5pos mXylene+Me-rad_TS5pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -350.040118729; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_5pos mXylene+Me-rad_product_5pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.078478673; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_4pos mXylene+Me-rad_product_4pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.081956305; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/2iodomxylene+Me_rad_TS_4pos 2iodomxylene+Me_rad_TS_4pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -646.156108412; Eh |
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- 31 Cross-coupling
- 31 Radicals