Concepedia

Experimental and DFT investigations on enhanced stability found on Re-, Rh-, and Nb-promoted Pt/WOx/γ-Al2O3 catalyst during aqueous-phase glycerol hydrogenolysis

Tinnakorn Saelee, Therasak Tapanya, Chanthip Wangphon, Meena Rittiruam, Takanori Miyake, Pongtanawat Khemthong, Teera Butburee, Poonnapa Limsoonthakul, Supareak Praserthdam, Piyasan Praserthdam

Fuel · 2022 · 13 citations · 70 references

DOI

Concepts

References

70

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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

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

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