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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-h2optf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -695.1473489; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hircoph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -904.6908023; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1044.9645315; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hpdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -815.4245027; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2oznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -343.2372531; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-hcro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -313.3905144; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-halcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1623.9312393; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes xehgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | sdd | -192.007425646; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2ofeco4axial | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -653.7236385; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-h2otame4piram | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -292.8354878; Eh |
Results 15711-15720 of 104515 (Search time: 0.023 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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