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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_Iso1_38 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1115.67073651; Eh | ||||
15-Mar-2023 | CBN_Ag_69 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.26921426; Eh | ||||
15-Mar-2023 | CBN_Ag_54 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.26799139; Eh | ||||
15-Mar-2023 | CBN_Ag_30 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.26742954; Eh | ||||
15-Mar-2023 | delta9_THC_405 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -968.85216194; Eh | ||||
15-Mar-2023 | CBN_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -966.45671486; Eh | ||||
15-Mar-2023 | CBN_14 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -966.45722503; Eh | ||||
15-Mar-2023 | CBN_Ag_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.27495603; Eh | ||||
15-Mar-2023 | CBN_Ag_17 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.27136636; Eh | ||||
15-Mar-2023 | CBN_Ag_8 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.27437400; Eh |
Results 1-10 of 14 (Search time: 0.001 seconds).