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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_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67201010; 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_116 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66433696; Eh | |||
 | 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_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66487315; 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_Iso3_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70592300; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso2_22 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70087203; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso2_27 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69728500; 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 |
Results 31-40 of 473 (Search time: 0.001 seconds).