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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-sime3ZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2757.71679; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3wco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1043.2587483; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1298.386488; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpincunh33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -620.8740499; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinconh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -682.2219893; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -831.3984998; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpincro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -566.8049455; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpink | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -282.2891431; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1673.9170791; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sime3incl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1331.6763223; Eh |
Results 23301-23310 of 103529 (Search time: 0.015 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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