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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /noDisp/complexes sin-coniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -627.4473229; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ch3-fecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1544.6166282; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-brfecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1518.1946075; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -607.0080161; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1045.2407688; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1265.5386237; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -316.5111131; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpintame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -470.6359103; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinrush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1944.2638004; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1693.1192365; Eh |
Results 23161-23170 of 103529 (Search time: 0.013 seconds).
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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
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