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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | /bare_ions Methamphetamine_b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -445.26520484; Eh | |||
 | 17-Nov-2021 | /bare_ions NicotinicAcid | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -437.26830979; Eh | |||
 | 17-Nov-2021 | /bare_ions Dopamine_b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.10515155; Eh | |||
 | 17-Nov-2021 | /bare_ions MDA_b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -594.51099885; Eh | |||
 | 17-Nov-2021 | /bare_ions MDA_a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -594.50296221; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/H2O_Clusters Aniline_H2O_3a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.38149726; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/H2O_Clusters Aniline_H2O_3d | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.37992315; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/H2O_Clusters Aniline_H2O_3e | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.37509279; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/H2O_Clusters Aniline_H2O_4a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -593.84490722; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/H2O_Clusters Aniline_H2O_2b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -440.91371219; Eh |
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