Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | exo_THC_Ag_Iso2_56 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70285813; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_59 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70438463; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_47 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70547747; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70091443; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_9 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71116900; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso2_48 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70547980; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_1 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69813910; Eh | |||
 | 15-Mar-2023 | exo_THC_Ag_Iso3_3 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.69860923; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_131 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70779227; Eh | |||
 | 15-Mar-2023 | CBC_Ag_Iso1_128 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71056499; Eh |
Results 71-80 of 238 (Search time: 0.001 seconds).