On the Generality of Molecular Volcano Plots
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DOI: 10.1002/cctc.201701709
Abstract: In homogeneous catalysis, the structure and electronic configuration of the active catalysts can vary significantly. Changes in ligation, oxidation, and spin states have the potential to influence the catalytic cycle energetics strongly that, to a… read more here.
Keywords: structure electronic; molecular volcano; volcano; generality molecular ... See more keywords
Activity‐Stability Volcano Plots for Material Optimization in Electrocatalysis
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DOI: 10.1002/cctc.201900500
Abstract: In the last two decades, research in electrocatalysis has been spurred by theoretical calculations and predictions based on the concept of ab initio thermodynamics, which has become a valuable tool for computational researchers in material… read more here.
Keywords: activity stability; volcano; volcano plots; stability volcano ... See more keywords
Inflated false discovery rate due to volcano plots: problem and solutions
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DOI: 10.1093/bib/bbab053
Abstract: Abstract Motivation Volcano plots are used to select the most interesting discoveries when too many discoveries remain after application of Benjamini–Hochberg’s procedure (BH). The volcano plot suggests a double filtering procedure that selects features with… read more here.
Keywords: false discovery; volcano; usepackage; volcano plots ... See more keywords