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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | exo_THC_Ag_Iso2_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71133587; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_54 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70187485; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_38 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70916102; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71133714; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69523355; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70851343; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_6 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70494708; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_7 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69456658; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_114 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66983155; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66434908; Eh |
Results 21-30 of 473 (Search time: 0.001 seconds).