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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_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70785250; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_111 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70011488; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_114 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71051751; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70768514; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_116 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71059993; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_62 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71458196; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_67 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70991808; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71065842; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_5 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71063176; Eh | ||||
15-Mar-2023 | exo_THC_Ag_Iso1_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70385729; Eh |
Results 61-70 of 266 (Search time: 0.001 seconds).
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Subject
- 238 cannabinoid
- 238 silver
- 238 THC
Method
- 266 DLPNO-CCSD(T)