1. A combined density functional theory and numerical simulation investigation of levels of chirality transfer and regioselectivity for the radical cyclizations of N-methyl-, N-ethyl- and N-isopropyl-substituted ortho-halo-N-acryloylanilides. (17th May 2018) Authors: Wang, Xiao-xu; Yuan, Lang; Jia, Cai-xin; Qu, Hong-jie; Li, Bai-jian; Chi, Yu-juan; Yu, Hai-tao Journal: New journal of chemistry Issue: Volume 42:Number 12(2018) Page Start: 9783 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. DFT investigation of hydrogen atom-abstraction reactions of NHC-boranes by various carbon-centered radicals: barriers and correlation analyses. Issue 57 (18th September 2020) Authors: Qu, Hong-jie; Yuan, Lang; Jia, Cai-xin; Yu, Hai-tao; Xu, Hui Journal: RSC advances Issue: Volume 10:Issue 57(2020) Page Start: 34752 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗