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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 1-Jun-2022 | A_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -611.348683453; Eh | |||
![]() | 1-Jun-2022 | B_acc_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -611.354377335; Eh | |||
![]() | 1-Jun-2022 | F_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.69987520; Eh | |||
![]() | 1-Jun-2022 | F_acc | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1598.21590532; Eh | |||
![]() | 1-Jun-2022 | P_U | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1176.06800566; Eh | |||
![]() | 1-Jun-2022 | R | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1176.06345630; Eh | |||
![]() | 1-Jun-2022 | B_don_c7_me | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -689.830497146; Eh | |||
![]() | 1-Jun-2022 | B_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -650.488483750; Eh | |||
![]() | 1-Jun-2022 | J_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | - | DEF2SVP | -1676.63515399; Eh | |||
![]() | 1-Jun-2022 | G_don | Laconsay, Croix | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | DEF2SVP | -540.987121775; Eh |
Results 11-20 of 61 (Search time: 0.001 seconds).