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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_39 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83241722; Eh | |||
 | 15-Mar-2023 | CBD_28 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83466549; Eh | |||
 | 15-Mar-2023 | CBD_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83349346; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66455810; Eh | |||
 | 15-Mar-2023 | CBG_1650 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03789250; Eh | |||
 | 15-Mar-2023 | CBG_1126 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03925789; Eh | |||
 | 15-Mar-2023 | CBN_70 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45315561; Eh | |||
 | 15-Mar-2023 | CBN_33 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45550610; Eh | |||
 | 15-Mar-2023 | CBN_38 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45303537; Eh | |||
 | 15-Mar-2023 | CBN_59 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45609428; Eh |
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- 220 Orca