Electrosynthesis of amino acids from NO and α-keto acids using two decoupled flow reactors

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

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

Natural Sciences, Chemistry, Physics +17

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

The Journal of Chemical Physics · 2014 · 2.9K citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Industrial Methods for the Production of Optically Active Intermediates

Michael Breuer, Klaus Ditrich, Tilo Habicher et al. · Angewandte Chemie International Edition · 2004 · 1.4K citations · Full text

Natural Sciences, Biotechnology, Chemistry +15