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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_Iso2_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70844113; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso2_42 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70218761; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_76 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70393317; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso2_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70415548; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso3_171 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.64981385; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso3_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65077581; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso3_168 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.64528311; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso4_34 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66422779; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso3_33 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65141566; Eh | |||
 | 15-Mar-2023 | CBD_Ag_Iso4_12 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66306602; Eh |
Results 41-50 of 473 (Search time: 0.001 seconds).
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- 473 THC
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- 238 DLPNO-CCSD(T)