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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_Iso1_34 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71588903; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_23 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71299159; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71247395; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_27 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70992620; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_29 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71159035; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_2 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71262412; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_38 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70916102; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_19 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70385729; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_54 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70187485; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso1_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70851343; Eh |
Results 31-40 of 238 (Search time: 0.001 seconds).