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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Nov-2021 | E029 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -538.76801771; Eh | |||
 | 17-Nov-2021 | E028 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -578.07454351; Eh | |||
 | 17-Nov-2021 | E031 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -499.46002048; Eh | |||
 | 17-Nov-2021 | E030 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -268.40405348; Eh | |||
 | 17-Nov-2021 | E036 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -919.74385563; Eh | |||
 | 17-Nov-2021 | E040 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -797.28368728; Eh | |||
 | 17-Nov-2021 | E037 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3033.56437682; Eh | |||
 | 17-Nov-2021 | E039 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -559.41778240; Eh | |||
 | 17-Nov-2021 | E038 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -757.23770005; Eh | |||
 | 17-Nov-2021 | E045 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -919.75181808; Eh |
Results 61-70 of 198 (Search time: 0.0 seconds).
Discover
Calculation type
- 198 Single point
Method
- 198 RKS