Concepedia

Carbon-supported bimetallic Pd–Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol

Junming Sun, Ayman M. Karim, He Zhang, Libor Kovařík, Xiaohong Shari Li, Alyssa J. R. Hensley, Jean‐Sabin McEwen, Yong Wang

Journal of Catalysis · 2013 · 442 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

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Periodic boundary conditions in<i>ab initio</i>calculations

Guy Makov, M. C. Payne · Physical review. B, Condensed matter · 1995 · 3K citations

, , +12