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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Aug-2022 | /Orca 3 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1559.21975840; Eh | |||
 | 22-Aug-2022 | /Orca 5 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.18241223; Eh | |||
 | 22-Aug-2022 | /Orca 6 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1404.72799368; Eh | |||
 | 22-Aug-2022 | /Orca 4 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.34968161; Eh | |||
 | 22-Aug-2022 | /Orca 7 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1404.63982365; Eh | |||
 | 22-Aug-2022 | /Orca RuBPY+ | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1580.70574855; Eh | |||
 | 22-Aug-2022 | /Orca TS3Box | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.10672689; Eh | |||
 | 22-Aug-2022 | /Orca EtOH | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -155.03371685; Eh | |||
 | 22-Aug-2022 | /Orca Ethanal | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -153.83559813; Eh | |||
 | 22-Aug-2022 | /Orca H2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1.16091378; Eh |
Results 11-20 of 28 (Search time: 0.001 seconds).
Discover
Program name
- 28 Orca