Concepedia

Immiscible bi-metal single-atoms driven synthesis of electrocatalysts having superb mass-activity and durability

Ahmad M. Harzandi, Sahar Shadman, Miran Ha, Chang Woo Myung, Dong Yeon Kim, Hyo Ju Park, Siraj Sultan, Woo‐Suk Noh, Wang‐Geun Lee, Pandiarajan Thangavel,

Applied Catalysis B: Environmental · 2020 · 137 citations · 42 references

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42

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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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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The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations

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Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

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Rationale for mixing exact exchange with density functional approximations

John P. Perdew, Matthias Ernzerhof, Kieron Burke · The Journal of Chemical Physics · 1996 · 6.6K citations

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