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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_109 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71224380; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_12 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71459616; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_119 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71159404; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_123 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71079050; Eh | |||
 | 15-Mar-2023 | Delta9_THC_Ag_Iso1_126 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71323984; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_54 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.65540139; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_10 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66413714; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_16 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66407106; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66026989; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_14 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66422683; Eh |
Results 81-90 of 473 (Search time: 0.001 seconds).