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 | E101 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -535.40512689; Eh | |||
 | 17-Nov-2021 | E100 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -386.32721999; Eh | |||
 | 17-Nov-2021 | E099 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -342.45617614; Eh | |||
 | 17-Nov-2021 | E103 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -504.24300335; Eh | |||
 | 17-Nov-2021 | E102 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -688.06459887; Eh | |||
 | 17-Nov-2021 | E104 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -543.54914240; Eh | |||
 | 17-Nov-2021 | E105 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -385.13929921; Eh | |||
 | 17-Nov-2021 | E107 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -345.82488259; Eh | |||
 | 17-Nov-2021 | E106 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -538.76760728; Eh | |||
 | 17-Nov-2021 | E110 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -503.05427226; Eh |
Results 281-290 of 312 (Search time: 0.001 seconds).
Discover
Calculation type
- 312 Single point