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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Nov-2018 | /water/complexes aq-ifecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1516.5083048; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1044.9997484; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1505.5866356; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hcunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -367.5460124; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hecunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -369.7074095; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hefecl3-bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1507.7969503; Eh | |||
 | 8-Nov-2018 | /water/complexes aq-hefecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1047.1373142; Eh | |||
 | 9-Nov-2018 | /noDisp/complexes sin-ohfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1580.5710111; Eh | |||
 | 9-Nov-2018 | /noDisp/complexes sin-nhcfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1731.0108901; Eh | |||
 | 9-Nov-2018 | /noDisp/complexes sin-ncsfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1995.8538895; Eh |
Results 61-70 of 371 (Search time: 0.001 seconds).