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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 9-Nov-2018 | /vacuum/complexes ofenoagnhc | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -603.084870935; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh2cucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -346.262215428; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh2znnh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -339.442069210; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh2crh2o5trip | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -524.953487740; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes imidazolfecl3bai | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1730.93928300; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes imidazolniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -740.340652566; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes hezrome3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -395.301253939; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes henipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2096.88832096; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh2yh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -476.088793503; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes nh2incl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -978.361968148; Eh |
Results 23071-23080 of 103529 (Search time: 0.012 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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