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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_Iso3_12 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66695861; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_18 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66552166; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66740442; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66851056; 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_144 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66296663; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65933432; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66366421; 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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