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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | Delta8_THC_Ag_Iso1_29 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65941581; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_27 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65981544; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66672237; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso1_54 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65540139; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso2_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66413714; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso2_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66407106; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso1_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66026989; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso2_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66422683; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso2_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66392605; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso1_7 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66306798; Eh |
Results 31-40 of 220 (Search time: 0.001 seconds).