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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | Oxadixyl_0e | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -955.16201037; Eh | |||
 | 31-Mar-2023 | Oxadixyl_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -955.16828016; Eh | |||
 | 31-Mar-2023 | Oxadixyl_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -955.16232363; Eh | |||
 | 31-Mar-2023 | Oxadixyl_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -955.17230631; Eh | |||
 | 31-Mar-2023 | Oxadixyl_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -955.16071206; Eh | |||
 | 31-Mar-2023 | PHENACETIN_0 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -594.52977939; Eh | |||
 | 31-Mar-2023 | Pirimicarb_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -799.97669419; Eh | |||
 | 31-Mar-2023 | Pirimicarb_0c | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -799.97141530; Eh | |||
 | 31-Mar-2023 | Pirimicarb_0d | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -799.97299833; Eh | |||
 | 31-Mar-2023 | Pyracarbolid_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -710.05919871; Eh |
Results 61-70 of 309 (Search time: 0.001 seconds).