Concepedia

CO2 capture and separation with metalloporphyrin nanosheets in an electric field: A DFT study

Yi Wang, Zhuoqun Yang, Na Zhang, Danqi Wang, Ruicong Wang, Wencai Peng, Jianshu Zhang, Jinli Zhang, Jinli Zhang

Applied Surface Science · 2022 · 10 citations · 47 references

DOI

Concepts

References

47

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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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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Perdew, Burke, and Ernzerhof Reply:

J. P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1998 · 1.6K citations

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