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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Nov-2020 | 17 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1518.50483480; Eh | |||
 | 19-Nov-2020 | TS4BEt2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.68674492; Eh | |||
 | 19-Nov-2020 | TS4BBn | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1822.84834731; Eh | |||
 | 11-Sep-2020 | /Orca 3b | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1404.17201880; Eh | |||
 | 11-Sep-2020 | /Orca 6EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2241.34824125; Eh | |||
 | 11-Sep-2020 | /Orca 8EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2015.83861163; Eh | |||
 | 11-Sep-2020 | /Orca 9 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.73248751; Eh | |||
 | 11-Sep-2020 | /Orca 11EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2012.22675478; Eh | |||
 | 11-Sep-2020 | /Orca 13 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1634.47827451; Eh | |||
 | 11-Sep-2020 | /Orca 12 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.33516951; Eh |
Results 11-20 of 312 (Search time: 0.001 seconds).