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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-ethylquinoline_H2O_1_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -557.79810088; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_1_ACN_1_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -800.63200554; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_0_ACN_2_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -856.98411035; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_1_e_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -687.24944049; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_1_c_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -687.21015255; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_0_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -595.90446863; Eh |
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