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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 17-Oct-2017 | /reactions/niru is_b12 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -701.17672440; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_b01 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -700.42248086; eV | ||||
| 17-Oct-2017 | /reactions/niru fs_a01 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -701.47321318; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_b12 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -701.07851303; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_b02 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -699.39596606; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_a16 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -598.08026062; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_b15 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -597.85940706; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_b16 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -597.83139740; eV | ||||
| 17-Oct-2017 | /reactions/niru ts_a21 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -538.93350832; eV | ||||
| 8-May-2017 | Ru-3-43 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -350.25489858; eV |
Results 2631-2640 of 103928 (Search time: 0.016 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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