A Stable Zn-Based Metal–Organic Framework as an Efficient Catalyst for Carbon Dioxide Cycloaddition and Alcoholysis at Mild Conditions

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

From ultrasoft pseudopotentials to the projector augmented-wave method

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

Natural Sciences, Chemistry, Physics +17

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

Natural Sciences, Chemistry, Physics +14

Direct Observation and Quantification of CO ₂ Binding Within an Amine-Functionalized Nanoporous Solid

Ramanathan Vaidhyanathan, S.S. Iremonger, George K. H. Shimizu et al. · Science · 2010 · 916 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Mg−Al Mixed Oxides as Highly Active Acid−Base Catalysts for Cycloaddition of Carbon Dioxide to Epoxides

Kazuya Yamaguchi, Kohki Ebitani, Tomoko Yoshida et al. · Journal of the American Chemical Society · 1999 · 725 citations

Natural Sciences, Chemical Engineering, Chemistry +15