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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70650604; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_144 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70569784; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_31 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70860643; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71065070; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70651410; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_21 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70644470; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66511718; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_31 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66297503; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_48 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66062383; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_22 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66303203; Eh |
Results 181-190 of 473 (Search time: 0.0 seconds).
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Subject
- 473 cannabinoid
- 473 silver
Method
- 238 DLPNO-CCSD(T)