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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_824 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.76926123; 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_7 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -962.75619809; Eh | |||
![]() | 15-Mar-2023 | CBG_1126 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92714061; Eh | |||
![]() | 15-Mar-2023 | CBG_607 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92239357; Eh | |||
![]() | 15-Mar-2023 | CBG_672 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -963.92228729; 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_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_88 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.87854379; Eh | |||
![]() | 15-Mar-2023 | CBG_Ag_8 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1109.87937489; Eh |
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- 238 cannabinoid
- 238 THC