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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Mar-2022 | maleimide | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -590.088401408; Eh | ||||
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 | ||||
11-Oct-2022 | 20 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -768.018126726; Eh | ||||
11-Oct-2022 | 7a | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1358.19633325; Eh | ||||
11-Oct-2022 | 18 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1902.69563064; Eh | ||||
11-Oct-2022 | 19 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1902.72859041; Eh | ||||
1-Jun-2022 | I_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1716.00604077; Eh | ||||
1-Jun-2022 | E_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1716.03141197; Eh | ||||
1-Jun-2022 | J_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1637.46856284; Eh |
Results 1-10 of 69 (Search time: 0.002 seconds).