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Keyword
- Catalysis1
- Electronic structure1
- Hydroformylation1
- Hydrogenation1
- Phosphorus ligand1
- Rhodium1
- ab initio1
- band structure1
- carbon nanotubes1
- cooperativity1
- electron and energy transfer1
- finite element methods1
- heterometallic complex1
- inorganic chemistry1
- metallic oligopeptide1
- multigrid1
- planewave1
- pseudopotential1
- real-space methods1
- self-assembly1