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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | delta8_THC_146 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85652234; Eh | |||
 | 15-Mar-2023 | delta8_THC_28 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85816971; Eh | |||
 | 15-Mar-2023 | delta8_THC_21 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85834098; Eh | |||
 | 15-Mar-2023 | delta8_THC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85943093; Eh | |||
 | 15-Mar-2023 | delta8_THC_2 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85927147; Eh | |||
 | 15-Mar-2023 | delta8_THC_96 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85679610; Eh | |||
 | 15-Mar-2023 | delta8_THC_92 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -968.86047300; Eh | |||
 | 15-Mar-2023 | exo_THC_137 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.77410824; Eh | |||
 | 15-Mar-2023 | exo_THC_244 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.84972350; Eh | |||
 | 15-Mar-2023 | exo_THC_245 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.84960336; Eh |
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- 238 DLPNO-CCSD(T)