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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | CBD_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70824562; Eh | |||
 | 15-Mar-2023 | CBG_Ag_37 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.88258811; Eh | |||
 | 15-Mar-2023 | CBG_Ag_36 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.88548781; Eh | |||
 | 15-Mar-2023 | CBG_Ag_42 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.88110463; Eh | |||
 | 15-Mar-2023 | CBG_Ag_1 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.86661452; Eh | |||
 | 15-Mar-2023 | CBG_Ag_2 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.86848825; Eh | |||
 | 15-Mar-2023 | CBG_Ag_88 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.87900629; Eh | |||
 | 15-Mar-2023 | CBG_Ag_8 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.88082326; Eh | |||
 | 15-Mar-2023 | CBN_Ag_22 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1113.26960840; Eh | |||
 | 15-Mar-2023 | CBN_Ag_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -1113.27495603; Eh |
Results 431-440 of 473 (Search time: 0.0 seconds).
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Subject
- 473 cannabinoid
- 473 silver
Method
- 238 DLPNO-CCSD(T)