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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Sep-2023 | /P_radicals/PCy3/PhPCy3_TS_cleavage PhPCy3_TS_cleavage_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -1277.7532333; 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-TS-cleavage dippf+Ph-TS-cleavage | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -3035.47925043; Eh | |||
 | 2-Sep-2023 | /common/iodobenzene iodobenzene_tzvp-as-radanion | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -528.4348363; Eh | |||
 | 2-Sep-2023 | /common/iodobenzene_radical_anion iodobenzene_radical_anion_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -528.4785337; 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 | /common/iodobenzene_radical_anion iodobenzene_radical_anion | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -527.944826608; Eh | |||
 | 2-Sep-2023 | /common/phenyl_radical phenyl_radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -231.147647037; Eh | |||
 | 2-Sep-2023 | /common/iodobenzene iodobenzene_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -528.4234603; Eh | |||
 | 2-Sep-2023 | /common/iodobenzene iodobenzene | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15L | DEF2SVP | -527.938541240; Eh |
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