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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbepbe NButylamine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+G(D,P) | -213.533783939; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbepbe Imine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+G(D,P) | -482.367450678; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbepbe Water | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | 6-31+G(D,P) | -76.3569875082; Eh |
Results 31-33 of 33 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 33 Gaussian