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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-piridinarhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -739.9632551; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinapdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1062.9589858; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinarush4 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1938.4864462; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinapdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -719.4107031; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1687.2009789; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-piridinaoso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -563.8867881; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scnauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -970.0149808; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-scncro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -803.8764416; Eh | ||||
| 9-Nov-2018 | /water//water complexes aq-bpinfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1298.4281756; Eh | ||||
| 9-Nov-2018 | /water//water complexes aq-bpinticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1693.1463745; Eh |
Results 21931-21940 of 103529 (Search time: 0.014 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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