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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-oincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -997.6819115; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-saucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1914.678012; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-sih3-rhh2o5_newfix | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -783.4533211; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1742.6706967; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nhcincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1148.3832934; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3hgi2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -233.0343073; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1413.460591; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ph3aucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1859.5675855; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nchincl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1015.5495533; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohaucl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1592.3469294; Eh |
Results 14861-14870 of 104583 (Search time: 0.011 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
- 3954 Copper
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