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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-ipdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -482.6490588; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinauph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -732.981043296; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpinalcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1877.34946190; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchk | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -121.6047918; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hfeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -577.9805591; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -908.0787416; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchcro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -406.1320518; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -619.2694492; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-imosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1276.1162549; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hwco5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -634.5684331; Eh |
Results 15671-15680 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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