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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | Ipconazole_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1400.49919397; Eh | |||
 | 31-Mar-2023 | Threonine_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -438.71085744; Eh | |||
 | 31-Mar-2023 | Methiocarb_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1032.04981717; Eh | |||
 | 31-Mar-2023 | Methamphetamine_0f | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -445.25797668; Eh | |||
 | 31-Mar-2023 | Methamphetamine_0g | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -445.25895505; Eh | |||
 | 31-Mar-2023 | Thymine_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -454.54432113; Eh | |||
 | 31-Mar-2023 | Thymine_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -454.54027701; Eh | |||
 | 31-Mar-2023 | Threonine_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -438.70362636; Eh | |||
 | 31-Mar-2023 | TKRKFGLMKKAYELSVLCDCEI | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP | -9655.18611606; Eh | |||
 | 31-Mar-2023 | SFYVYSRVKN | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP | -4329.06895392; Eh |
Results 91-100 of 309 (Search time: 0.002 seconds).