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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-ohnbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -356.7832822; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2oso3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -752.212037852; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2mosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1700.82577190; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2nbnh24 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -717.091546628; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohfecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1120.2493951; Eh | ||||
| 9-Nov-2018 | /vacuum/complexes fenilno2mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -766.119753284; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohmosh3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1340.5160458; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -567.9542439; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ohZrCl5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -2424.3266856; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ocro3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -387.9307796; Eh |
Results 15411-15420 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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