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
Full textCC BY
Atomic and Molecular Physics, and Optics
Filters3 filters applied
Status
Year
Readable here
2 papersQuestions on this topic
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
Full textCC BY