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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 3-Aminoquinoline | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -457.65843652; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4i | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -751.02453685; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4h | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -751.03200997; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4j | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -751.02743779; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/H2O_Clusters Clonidine_H2O_1a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1509.96529009; Eh | |||
 | 17-Nov-2021 | /Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_2a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1665.02279368; Eh | |||
 | 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_1b | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1549.25791810; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/ACN_Clusters Aniline_ACN_1a | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -420.77420142; Eh | |||
 | 17-Nov-2021 | /Aniline_Clusters/MeOH_Clusters Aniline_MeOH_4r | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -751.02652789; Eh |
Results 1-10 of 131 (Search time: 0.001 seconds).