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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_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66407106; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66392605; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_29 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66285287; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70091443; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71116900; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70138200; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69813910; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69860923; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_100 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67235700; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_106 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66095987; Eh |
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- 238 DLPNO-CCSD(T)