Browsing by Subject silver
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | CBC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66749597; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70768514; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66434908; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70785250; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_128 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67336313; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_128 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71056499; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67201010; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70779227; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70792380; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66838384; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66193534; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69708627; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_46 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66301658; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_46 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70240224; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_48 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66102865; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_48 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69353653; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_55 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66984039; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_55 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70600724; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_76 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66767377; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_76 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70393317; Eh |