Enhanced electrocatalytic cathodic degradation of 2,4-dichlorophenoxyacetic acid based on a synergistic effect obtained from Co single atoms and Cu nanoclusters

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

Natural Sciences, Chemistry, Materials Science +14

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

Natural Sciences, Chemistry, Visualization +15

Decontamination of wastewaters containing synthetic organic dyes by electrochemical methods. An updated review

Enric Brillas, Carlos A. Martínez‐Huitle · Applied Catalysis B: Environmental · 2014 · 3.3K citations

Engineering, Environmental Engineering, Environmental Sciences +16

Consistent van der Waals Radii for the Whole Main Group

Manjeera Mantina, Adam Chamberlin, Rosendo Valero et al. · The Journal of Physical Chemistry A · 2009 · 1.8K citations · Full text

Natural Sciences, Chemistry, Physics +17