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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-sime3rhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -901.4639735; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3rush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2099.5352754; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1848.3943005; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3znch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -676.3266348; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-xecrh2o5trip_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -484.1497952; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-smeaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1954.654583; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-smeincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1360.5232404; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1158.1108477; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-tiofenozncl3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2161.0070599; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinfecl3-bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1758.7087577; Eh |
Results 23291-23300 of 103529 (Search time: 0.014 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >