Concepedia

On the role of water in selective hydrogenation of cinnamaldehyde to cinnamyl alcohol on PtFe catalysts

Yihu Dai, Xing Gao, Xiaofang Chu, Chunyang Jiang, Yao Yao, Zhen Guo, Chunmei Zhou, Chuan Wang, Hongming Wang, Yanhui Yang

Journal of Catalysis · 2018 · 117 citations · 60 references

DOI

Concepts

References

60

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

, , +14

Metal–organic frameworks as selectivity regulators for hydrogenation reactions

Meiting Zhao, Kuo Yuan, Yun Wang et al. · Nature · 2016 · 1.5K citations

, , +16