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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | CBN_14 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -966.45722503; Eh | ||||
15-Mar-2023 | CBN_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -966.45671486; Eh | ||||
15-Mar-2023 | CBN_Ag_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.27495603; Eh | ||||
15-Mar-2023 | delta8_THC_92 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -968.86047300; Eh |
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- 14 cannabinoid
- 14 silver
- 14 THC
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- 14 Orca