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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_1_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -978.05436150; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_0_ACN_1_x_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1034.42779124; Eh | |||
 | 7-Mar-2023 | 8-chloro-2-methylquinoline_H2O_0_ACN_1_w_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1034.42789379; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_3_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -820.76591107; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_2_ACN_0_c_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -744.26978406; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_3_ACN_0_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -820.76440352; Eh | |||
 | 7-Mar-2023 | 2-ethylquinoline_H2O_2_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -634.29370433; 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_1_IPA_1_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -752.32797420; 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 |
Results 11-20 of 44 (Search time: 0.002 seconds).