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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | CBD_28 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83466549; Eh | |||
 | 15-Mar-2023 | CBD_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.83349346; Eh | |||
 | 15-Mar-2023 | CBG_489 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.91620999; Eh | |||
 | 15-Mar-2023 | CBG_672 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92228729; Eh | |||
 | 15-Mar-2023 | CBG_607 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92239357; Eh | |||
 | 15-Mar-2023 | CBG_52 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92133161; Eh | |||
 | 15-Mar-2023 | CBG_4 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92362688; Eh | |||
 | 15-Mar-2023 | CBN_139 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45568622; Eh | |||
 | 15-Mar-2023 | CBN_119 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45603908; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66548789; Eh |
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Subject
- 473 silver
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- 238 DLPNO-CCSD(T)