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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jul-2023 | monomer_2 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -501.411807676; Eh | |||
| 8-Jul-2023 | monomer_1 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -429.631050490; Eh | |||
| 8-Jul-2023 | cis-poxa | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -1582.55457390; Eh | |||
| 8-Jul-2023 | trans-poxa | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RPBE1PBE | DEF2TZVP | -1582.5545769; Eh |
Results 11-14 of 14 (Search time: 0.001 seconds).