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-nhcincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1148.3832934; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3aucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1859.5675855; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1015.5495533; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncshgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -667.6227819; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -997.6819115; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohhgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -252.3722107; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-oZrCl5_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2423.5379767; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhchgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -402.6791036; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2007.5857465; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -233.0343073; Eh |
Results 23401-23410 of 103928 (Search time: 0.013 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 >