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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_758 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.76014082; Eh | |||
 | 15-Mar-2023 | CBC_31 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.76062793; Eh | |||
 | 15-Mar-2023 | CBC_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.75744375; Eh | |||
 | 15-Mar-2023 | CBG_2029 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03745174; Eh | |||
 | 15-Mar-2023 | CBG_489 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03101812; Eh | |||
 | 15-Mar-2023 | CBG_607 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03268691; Eh | |||
 | 15-Mar-2023 | CBG_337 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03426889; Eh | |||
 | 15-Mar-2023 | CBG_52 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03494351; Eh | |||
 | 15-Mar-2023 | CBG_27 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03409226; Eh | |||
 | 15-Mar-2023 | CBG_4 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -970.03481119; Eh |
Results 461-470 of 473 (Search time: 0.001 seconds).
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Subject
- 473 cannabinoid
- 473 silver
Method
- 238 DLPNO-CCSD(T)