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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | CBN_Ag_7 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39422194; Eh | |||
 | 15-Mar-2023 | CBN_Ag_33 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39638745; Eh | |||
 | 15-Mar-2023 | CBN_Ag_54 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39600088; Eh | |||
 | 15-Mar-2023 | CBN_Ag_69 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.40055191; Eh | |||
 | 15-Mar-2023 | CBN_Ag_8 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39618541; Eh | |||
 | 15-Mar-2023 | delta8_THC_119 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85566229; Eh | |||
 | 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_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85943093; Eh | |||
 | 15-Mar-2023 | delta9_THC_47 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.77867794; Eh | |||
 | 15-Mar-2023 | delta9_THC_4 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.78120628; Eh |
Results 381-390 of 473 (Search time: 0.001 seconds).