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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_119 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65999570; 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_113 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66942290; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_120 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66382719; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_109 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65912600; 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 | 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_82 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70517944; Eh |
Results 1-10 of 528 (Search time: 0.002 seconds).