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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_1_ACN_0_b_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -550.86210802; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_0_ACN_2_b_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -738.77404636; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_2_ACN_0_a_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -626.93860860; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_1_ACN_0_a_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -550.86715399; Eh | |||
 | 7-Mar-2023 | 2-hydroxyquinoline_H2O_0_ACN_2_c_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -738.78896599; Eh |
Results 121-125 of 125 (Search time: 0.001 seconds).