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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_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66592878; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_5 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66348101; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66449076; Eh | ||||
15-Mar-2023 | Delta9_THC_Ag_Iso1_21 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66503462; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_114 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66983155; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_121 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66434908; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.67201010; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_15 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66838384; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_116 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66433696; Eh | ||||
15-Mar-2023 | CBC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66749597; Eh |
Results 11-20 of 220 (Search time: 0.001 seconds).