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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 fenilcrh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -700.632409179; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2crh2o5triplete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -469.813996543; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpincucn | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -544.306844481; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilniph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -745.776688906; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2fecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1505.98288220; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fnipf33 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2193.94553497; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes ffecl3- | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1604.63207809; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes h2incl2 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RB3LYP | 6-31+g*; sdd | -923.238410222; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fzncl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1707.82621943; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes bpincuch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -491.315726655; Eh |
Results 25361-25370 of 103529 (Search time: 0.015 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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