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- Amides 128
- Amides reduction 68
- Biocatalysis 18
- Chiral alcohols 18
- Computational enzymology 18
- Density functional calculations 143
- density functional theory 169
- electrocatalysis 169
- Gaussian09 68
- Geometry Optimization 68
- High-throughput screening 83
- Homogeneous catalysis 196
- Hydrogenation 60
- Iron 128
- Ketoreductases 18
- Molecular dynamics 18
- Molybdenum 68
- N-doped carbon 169
- oxygen reduction reaction 169
- QM/MM 18