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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Aug-2023 | aDoubletOther_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -2406.82123865; Eh | |||
 | 17-Aug-2023 | FeOHtriplet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -1625.94442159; Eh | |||
 | 17-Aug-2023 | FeOHinCHCl3_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -1625.9774787; Eh | |||
 | 17-Aug-2023 | fDoublet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.83935341; Eh | |||
 | 17-Aug-2023 | TSatof_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | GEN | -2406.79783243; Eh |
Results 11-15 of 15 (Search time: 0.001 seconds).
Discover
Calculation type