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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
31-Mar-2023 | Promecarb_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -673.17280602; Eh | ||||
31-Mar-2023 | Propoxur_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -709.07996198; Eh | ||||
31-Mar-2023 | Propoxur_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -709.07152975; Eh | ||||
31-Mar-2023 | Pyracarbolid_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -710.05508855; Eh | ||||
31-Mar-2023 | Pyracarbolid_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -710.06388991; Eh | ||||
31-Mar-2023 | Pyracarbolid_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -710.05341674; Eh | ||||
31-Mar-2023 | Pyrimethanil_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -629.81982428; 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 | Quinoxyfen_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1727.08535324; Eh |
Results 61-70 of 309 (Search time: 0.002 seconds).