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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_23 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66267513; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66548789; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66429662; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66096767; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66945669; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67170352; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_39 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66012754; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_67 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65443669; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_62 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66027380; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_31 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65903520; Eh |
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- 220 silver