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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-corhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -604.8781155; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-comosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1377.7155427; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cnznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -359.9108083; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-coznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -380.1009044; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-fauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -578.8113553; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cooso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -428.7258179; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cntame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -309.5030166; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cotame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -329.6986095; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cocunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -479.7974624; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-cofeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -690.650585; Eh |
Results 15821-15830 of 104515 (Search time: 0.01 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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