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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | /Clonidine_Clusters/ACN_Clusters Clonidine_ACN_1c | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1566.28604550; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/H2O_Clusters Clonidine_H2O_1b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1509.95811555; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/H2O_Clusters Clonidine_H2O_3a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1662.88441880; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/H2O_Clusters Clonidine_H2O_2a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1586.42187657; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/ACN_Clusters Aniline_ACN_4b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -819.12322661; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/ACN_Clusters Aniline_ACN_3a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -686.36250622; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/ACN_Clusters Aniline_ACN_4c | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -819.13754268; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/ACN_Clusters Aniline_ACN_4a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -819.12062199; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_tt_130_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22386530; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3g | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -1780.77541035; Eh |
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