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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Mar-2023 | quinaldic-acid_H2O_1_ACN_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -800.65103305; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_1_ACN_0_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -667.77222134; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_1_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -667.77479724; Eh | |||
 | 7-Mar-2023 | quinaldic-acid_H2O_0_ACN_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -591.27407373; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_1_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -672.40311007; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_0_IPA_1_e_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -790.43962292; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_0_IPA_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -790.44001311; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_2_IPA_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -748.89758791; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_1_IPA_1_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -866.93191719; Eh | |||
 | 7-Mar-2023 | 2-methyl-6-ethoxyquinoline_H2O_1_IPA_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -866.93443806; Eh |
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