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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_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39925270; Eh | |||
 | 15-Mar-2023 | CBN_Ag_22 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39287333; Eh | |||
 | 15-Mar-2023 | delta9_THC_132 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.78084791; Eh | |||
 | 15-Mar-2023 | delta9_THC_141 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.78281946; Eh | |||
 | 15-Mar-2023 | delta9_THC_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.77912897; Eh | |||
 | 15-Mar-2023 | delta9_THC_16 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.77930036; Eh | |||
 | 15-Mar-2023 | delta9_THC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.78125180; Eh | |||
 | 15-Mar-2023 | delta9_THC_85 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85299760; Eh | |||
 | 15-Mar-2023 | delta9_THC_47 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85416056; Eh | |||
 | 15-Mar-2023 | delta9_THC_4 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -968.85510164; Eh |
Results 61-70 of 473 (Search time: 0.0 seconds).
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- 473 silver
Method
- 238 DLPNO-CCSD(T)