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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | CBG_Ag_42 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.88345751; Eh | ||||
15-Mar-2023 | CBG_Ag_7 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.87563315; Eh | ||||
15-Mar-2023 | CBG_Ag_54 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1116.88255591; Eh | ||||
15-Mar-2023 | CBG_Ag_62 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.86994535; Eh | ||||
15-Mar-2023 | CBG_Ag_7 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.86725776; Eh | ||||
15-Mar-2023 | CBG_Ag_5 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.87001293; Eh | ||||
15-Mar-2023 | CBG_Ag_70 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.88041322; Eh | ||||
15-Mar-2023 | CBN_Ag_17 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39747342; Eh | ||||
15-Mar-2023 | CBN_Ag_23 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39668879; Eh | ||||
15-Mar-2023 | CBN_Ag_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1106.39506661; Eh |
Results 51-60 of 473 (Search time: 0.001 seconds).
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Subject
- 473 cannabinoid
- 473 silver
Method
- 238 DLPNO-CCSD(T)