Concepedia

The deoxygenation mechanism of biomass thermal conversion with molten salts: Experimental and theoretical analysis

Lu Dong, Yuhao Liu, Huaizhou Wen, Chan Zou, Qiqi Dai, Haojie Zhang, Lejin Xu, Hongyun Hu, Hong Yao

Renewable Energy · 2023 · 46 citations · 31 references

DOI

Concepts

References

31

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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From ultrasoft pseudopotentials to the projector augmented-wave method

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

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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

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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.4K citations

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Iron-Catalyzed Hydrogen Production from Formic Acid

Albert Boddien, Björn Loges, Felix Gärtner et al. · Journal of the American Chemical Society · 2010 · 363 citations

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