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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M27 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59935172; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M33 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.61080677; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M88 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UPBEPBE | GENECP | -1132.61903668; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M88 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UHF; UPBEPBE | GENECP GEN | -1132.4599435; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M31_triplet | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59845748; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M22_triplet | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59730616; Eh |
Results 11-16 of 16 (Search time: 0.001 seconds).
Discover
Subject
Method
- 1 UHF