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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2017 | Linker_frec | Melgar, Dolores | ADF; 2012; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | HCO3_raman | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | TZP | - | |||
 | 27-Mar-2017 | pentagon_IR | Melgar, Dolores | ADF; 2010; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | linker_pent_IR | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | - | - | |||
 | 27-Mar-2017 | Mo7O24_red_opt | Melgar, Dolores | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Structure | RBP86 | - | -2281.38519234; Eh | |||
 | 27-Mar-2017 | Pentagon_opt | Melgar, Dolores | ADF; 2010; 01 | Geometry optimization | DFT | TZP | -242.53610607; eV | |||
 | 27-Mar-2017 | Mo7O24_red_raman | Melgar, Dolores | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RBP86 | - | -2281.38519234; Eh | |||
 | 27-Mar-2017 | linker_pentagon_IR | Melgar, Dolores | ADF; 2012; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | carbonate_raman | Melgar, Dolores | ADF; 2012; 01 | Single point | DFT | TZP | - | |||
 | 27-Mar-2017 | Linker_opt | Melgar, Dolores | ADF; 2012; 01 | Geometry optimization | DFT | TZP | - |
Results 9531-9540 of 103542 (Search time: 0.008 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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