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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_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65933432; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66366421; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66257445; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_123 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65990964; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_126 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65473947; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_144 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66296663; Eh | |||
![]() | 15-Mar-2023 | Delta9_THC_Ag_Iso1_12 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66527545; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso3_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66866276; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_59 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66018232; Eh | |||
![]() | 15-Mar-2023 | exo_THC_Ag_Iso2_56 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65897738; Eh |
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