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 | C62 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1668.51000343; Eh | |||
 | 17-Nov-2021 | C64 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2495.19728938; Eh | |||
 | 17-Nov-2021 | C65 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -4214.33324078; Eh | |||
 | 17-Nov-2021 | C67 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3218.72203757; Eh | |||
 | 17-Nov-2021 | C66 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2833.60747658; Eh | |||
 | 17-Nov-2021 | C68 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3009.51083393; Eh | |||
 | 17-Nov-2021 | C01 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -2491.05950527; Eh | |||
 | 17-Nov-2021 | C06 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -1865.05402547; Eh | |||
 | 17-Nov-2021 | C07 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -4014.38476187; Eh | |||
 | 17-Nov-2021 | C18 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-TZVPP/C | -3352.39221961; Eh |
Results 31-40 of 198 (Search time: 0.001 seconds).
Discover
Calculation type
- 198 Single point
Method
- 198 RKS