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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/MeOH_Clusters Clonidine_MeOH_1a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.26383675; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3p | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76524637; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3q | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76458041; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3s | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76333060; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3n | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76672433; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3v | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76116731; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3y | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.75546138; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3t | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.76358714; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3x | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.75732425; Eh | ||||
17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3w | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1780.75672874; Eh |
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