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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_0_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -610.75325683; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_0_ACN_2_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -743.61243521; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_0_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -477.86753508; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -687.22197415; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_0_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -554.36689660; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -554.37270040; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_2_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -634.29370433; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_0_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -481.29946087; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_1_IPA_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -752.32947955; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_0_IPA_2_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -870.36311957; Eh |
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