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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Oct-2021 | 8b_9b_TSS_CH3_DCM | Laconsay, Croix | Gaussian; 09; EM64L-G09RevB.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 4-Oct-2021 | 9b_CH2_none_DCM | Laconsay, Croix | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | GENECP | - | |||
 | 1-Apr-2022 | 4 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | 6-31+G(D,P) | -781.456436981; Eh | |||
 | 30-Mar-2022 | 6a | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1358.19633325; Eh | |||
 | 30-Mar-2022 | TS_DA | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | DEF2SVP | -1358.12022632; Eh | |||
 | 30-Mar-2022 | maleimide | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -590.088401408; Eh | |||
 | 1-Jun-2022 | TS_C_D_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94481172; Eh | |||
 | 1-Jun-2022 | TS_C_F_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94016699; Eh | |||
 | 1-Jun-2022 | TS_J_K_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1715.94948354; Eh | |||
 | 1-Jun-2022 | TS_D_E_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | DEF2SVP | -1716.01586433; Eh |
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