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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-nh3conh35 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -484.2558691; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3pdhph32 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -871.2192452; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsznch3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -758.1361143; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3mno3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -386.219158; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3ticl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1495.4487011; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3alcl3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g* | -1679.8426826; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-nh3fecl2sextup | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g*; sdd | -1100.7050635; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsrhh2o5 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -983.1781029; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncsptf5singlete | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -1109.7699876; Eh | ||||
| 9-Nov-2018 | /noDisp/complexes sin-ncspdph3 | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+g*; sdd | -962.2521197; Eh |
Results 15471-15480 of 104515 (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
- 3932 Copper
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