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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Aug-2022 | 3-Bromoquinoline_ACN_1b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -3108.71163857; Eh | |||
 | 5-Aug-2022 | Me4N_ACN_3a | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -612.53360276; Eh | |||
 | 5-Aug-2022 | MeOH | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -115.73906515; Eh | |||
 | 5-Aug-2022 | ACN | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -132.76389573; Eh | |||
 | 5-Aug-2022 | ACN | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -132.76017161; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_3d | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -784.56021603; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_2c | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -668.74741302; Eh | |||
 | 5-Aug-2022 | Me4N_ACN_0a | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -214.18319590; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_1a | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -553.03826567; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_2b | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -668.79995595; Eh |
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