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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_0 | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -437.26831393; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_2a | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -668.80269084; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_2c_Ehigh | Haack, Alexander | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -665.08806251; Eh |
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