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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_2_c_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -743.59144454; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_0_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -614.17883932; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_1_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -557.79810088; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_0_ACN_2_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -747.00409210; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_3_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -710.78098632; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_1_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -690.67188159; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_3_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -710.78098632; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_1_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1110.92834926; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_1_ACN_0_z_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -978.04200164; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_0_ACN_2_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1167.30042834; Eh |
Results 1-10 of 16 (Search time: 0.001 seconds).