Browsing by Author lopez, ricard
Showing results 1 to 2 of 2
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-May-2021 | kite | lopez, ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(D) | - | |||
 | 25-May-2022 | Self-folding_cavitand | lopez, ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | 6-31G(D) | -4895.67205641; Eh |