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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | Butocarboxim_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -933.72222789; Eh | |||
 | 31-Mar-2023 | Butocarboxim_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -933.72222670; 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 | Cycluron_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -617.61291167; Eh | |||
 | 31-Mar-2023 | Cycluron_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -617.61016814; Eh | |||
 | 31-Mar-2023 | Cycluron_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -617.60443697; Eh | |||
 | 31-Mar-2023 | Cycluron_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -617.60493898; Eh | |||
 | 31-Mar-2023 | Famoxadon_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1260.01401585; Eh | |||
 | 31-Mar-2023 | Famoxadon_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1260.01537933; Eh | |||
 | 31-Mar-2023 | Famoxadon_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1260.02385037; Eh |
Results 171-180 of 309 (Search time: 0.001 seconds).