Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost
Peter C. St. John, Yanfei Guan, Yeonjoon Kim et al. · Nature Communications · 2020
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Atomic and Molecular Physics, and Optics
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Corrected Corrected MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions
Haoyu S. Yu, Xiao He, Shaohong L. Li et al. · Chemical Science · 2016
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