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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jun-2022 | H_acc | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1598.15200777; Eh | ||||
1-Jun-2022 | A_acc_invert | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -572.012281478; Eh | ||||
1-Jun-2022 | R_O | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1251.30285482; Eh | ||||
1-Jun-2022 | Int_U_1 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1176.06789237; Eh | ||||
1-Jun-2022 | H_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1715.97118308; Eh | ||||
1-Jun-2022 | J_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1637.46856284; Eh | ||||
1-Jun-2022 | L_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -501.850212812; Eh | ||||
1-Jun-2022 | D_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -1637.55361948; Eh | ||||
1-Jun-2022 | C_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.62747704; Eh | ||||
1-Jun-2022 | B_acc | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -572.015658284; Eh |
Results 31-40 of 69 (Search time: 0.0 seconds).