Browsing by Author Otten, Edwin
Showing results 1 to 3 of 3
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Sep-2016 | acetic | Otten, Edwin | Molcas; 8.0 | Geometry optimization | DFT | ANO-S | - | |||
 | 9-Sep-2016 | CC | Otten, Edwin | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -499.599892121; Eh | |||
 | 9-Sep-2016 | verdazyl | Otten, Edwin | TURBOMOLE; 6.4 | Geometry optimization | U-DFT | def2-TZVP | - |