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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | LEFLUNOMIDE_3 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1022.63299726; Eh | |||
 | 31-Mar-2023 | LEFLUNOMIDE_6 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1022.62568806; Eh | |||
 | 31-Mar-2023 | 3_AMINOQUINOLINE_PROT2_0 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -457.69787975; Eh | |||
 | 31-Mar-2023 | 6_NH2_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -497.03267406; Eh | |||
 | 31-Mar-2023 | Aminocarb_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -689.19465386; Eh | |||
 | 31-Mar-2023 | Pyrimethanil_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -629.80956937; Eh | |||
 | 31-Mar-2023 | Pyrimethanil_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -629.81030332; Eh | |||
 | 31-Mar-2023 | Pyrimethanil_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -629.81085515; Eh | |||
 | 31-Mar-2023 | Hexaflumuron_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -2469.75867490; Eh | |||
 | 31-Mar-2023 | Methiocarb_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1032.04981717; Eh |
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