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 | Delta8_THC_Ag_Iso1_23 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66267513; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66548789; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66429662; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_26 | Ieritano, Christian | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1115.66096767; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_20 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70972348; Eh | |||
 | 15-Mar-2023 | Delta8_THC_Ag_Iso1_11 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.71268126; 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_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_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_27 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -1108.70992620; Eh |
Results 1-10 of 473 (Search time: 0.001 seconds).