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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-xehgi2_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | sdd | -191.9879769; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-tiofenofecl2sextup_newfix2freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1597.1272754; Eh | ||||
| 9-Nov-2018 | /noDisp/metal_frag sin-auph3b3lyp | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -478.6693; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-tiofenohgi2_newfix2freq | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -729.4700166; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1320.7106838; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-xefecl3-bai_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1520.3291334; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-tiofenozrome3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -945.4346599; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-xenbnh24_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -296.2295059; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-xegacl3_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1398.3421049; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-bpinmno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -583.9700787; Eh |
Results 23281-23290 of 103529 (Search time: 0.016 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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