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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -629.80956937; 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 | Butocarboxim_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -933.72661163; Eh | |||
 | 31-Mar-2023 | Butocarboxim_0e | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -933.72660977; Eh | |||
 | 31-Mar-2023 | Butocarboxim_0f | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -933.72611836; Eh | |||
 | 31-Mar-2023 | Carbetamide_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -802.59526907; Eh | |||
 | 31-Mar-2023 | Carbetamide_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -802.59361741; Eh | |||
 | 31-Mar-2023 | Cyprodinil_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -707.21442729; Eh | |||
 | 31-Mar-2023 | Famoxadon_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1260.02385037; Eh |
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