Concepedia

Organic-free modulation of the framework Al distribution in ZSM-5 zeolite by magnesium participated synthesis and its impact on the catalytic cracking reaction of alkanes

Kang Chen, Xueqiu Wu, Jiyu Zhao, Hongjuan Zhao, Anhui Li, Qiang Zhang, T.X. Xia, Peng Liu, Bo Meng, Weiyu Song,

Journal of Catalysis · 2022 · 66 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

, , +16

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

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

<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