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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Mar-2023 | Delta8_THC_Ag_Iso2_2 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66776275; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso2_21 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66331630; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66851056; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso2_5 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66342108; Eh | ||||
15-Mar-2023 | Delta8_THC_Ag_Iso2_4 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66305014; Eh | ||||
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 |
Results 121-130 of 473 (Search time: 0.001 seconds).
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- 473 silver
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- 238 DLPNO-CCSD(T)