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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Sep-2023 | /common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvp-as-singlet | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -528.3436564; Eh | ||||
2-Sep-2023 | /common/phenyl_radical phenyl_radical_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -231.3478792; Eh | ||||
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+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_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/dppf/dppf+Ph-rad dppf+Ph-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3489.1043882; 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 | ||||
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 |
Results 11-20 of 43 (Search time: 0.002 seconds).