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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | GRISEOFULVIN_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1570.04580164; Eh | |||
 | 31-Mar-2023 | GRISEOFULVIN_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1570.03535784; Eh | |||
 | 31-Mar-2023 | GRISEOFULVIN_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1569.98575112; Eh | |||
 | 31-Mar-2023 | GLUFOSINATE | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -895.33284191; Eh | |||
 | 31-Mar-2023 | HALPERIDOL_1 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1579.85532686; Eh | |||
 | 31-Mar-2023 | HALCINONIDE_6 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1870.52721449; Eh | |||
 | 31-Mar-2023 | HALCINONIDE_5 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1870.52688943; Eh | |||
 | 31-Mar-2023 | HALPERIDOL_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1579.85536540; Eh | |||
 | 31-Mar-2023 | IOPANOIC_ACID_R_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1525.37259918; Eh | |||
 | 31-Mar-2023 | IOPANOIC_ACID_R_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1525.37263053; Eh |
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