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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Sep-2020 | /Orca 13EXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2246.11879486; Eh | |||
 | 11-Sep-2020 | /Orca 14 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1400.57125651; Eh | |||
 | 11-Sep-2020 | /Orca 16 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1704.94454603; Eh | |||
 | 11-Sep-2020 | /Orca Gem-diol | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -305.52269949; Eh | |||
 | 11-Sep-2020 | /Orca Glycolaldehyde | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -229.07255882; Eh | |||
 | 11-Sep-2020 | /Orca H2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1.16103983; Eh | |||
 | 11-Sep-2020 | /Orca TS1A | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1635.62050427; Eh | |||
 | 11-Sep-2020 | /Orca TS1C | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1481.78499836; Eh | |||
 | 11-Sep-2020 | /Orca TS1B | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1405.31719006; Eh | |||
 | 11-Sep-2020 | /Orca TS1CbpyEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2012.18553934; Eh |
Results 21-30 of 70 (Search time: 0.001 seconds).
Discover
Program name
- 70 Orca
Calculation type
- 70 Single point