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 | /Gaussian 3a | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Orca TS2Abpy | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1629.65420016; Eh | |||
 | 11-Sep-2020 | /Orca TS2B | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1634.44322078; Eh | |||
 | 11-Sep-2020 | /Orca TS2Bbpy | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1629.65707485; Eh | |||
 | 11-Sep-2020 | /Orca TS2C | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1634.42849011; Eh | |||
 | 11-Sep-2020 | /Orca TS4BbpyEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2240.12268867; Eh | |||
 | 11-Sep-2020 | /Orca TS4BEXP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2244.90227254; Eh | |||
 | 11-Sep-2020 | /Orca TS4C | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.68986771; Eh | |||
| 29-Sep-2020 | /_Energies Energies | von Wolff, Niklas | - | - | - | - | - | - | - | - | |
 | 19-Nov-2020 | TS4BEt2 | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1709.68674492; Eh |
Results 1-10 of 602 (Search time: 0.039 seconds).
Discover
Date issued
- 1 2020
Calculation type