Fuel · 2023 · 21 citations · 64 references
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
Xiao-Feng Yang, Aiqin Wang, Botao Qiao et al. · Accounts of Chemical Research · 2013 · 4.7K citations
Natural Sciences, Chemical Engineering, Materials Science +17
Hardness conserving semilocal pseudopotentials
B. Delley · Physical review. B, Condensed matter · 2002 · 1.8K citations · Full text