Improving the removal efficiency of oxygenated volatile organic compounds by defective UiO-66 regulated with water

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

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

Special points for Brillouin-zone integrations

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

Natural Sciences, Physics, Computational Electromagnetics +6

Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption

Hui Wu, Yong Shen Chua, Vaiva Krungleviciute et al. · Journal of the American Chemical Society · 2013 · 1.4K citations

Natural Sciences, Materials Engineering, Materials Science +15

Defect Engineering: Tuning the Porosity and Composition of the Metal–Organic Framework UiO-66 via Modulated Synthesis

Greig C. Shearer, Sachin Chavan, Silvia Bordiga et al. · Chemistry of Materials · 2016 · 1.4K citations · Full text

Natural Sciences, Chemistry, Materials Science +13