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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | CBD_Ag_Iso2_126 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.64855117; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso3_105 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65264344; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso2_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65348362; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso2_124 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.64884806; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso2_23 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65037014; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso2_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65228274; Eh | ||||
15-Mar-2023 | CBD_Ag_Iso2_31 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.64768008; Eh | ||||
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 |
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- 238 DLPNO-CCSD(T)