A DFT investigation exploring the influence of lone electron pair on hyperfine structures of N-centered radicals

出版年份 2018 全文链接

标题

作者

关键词

Electron spin density, Density function theory, Hyperfine coupling constants, Lone electron pairs, Radical science

出版物

Volume 517, Issue -, Pages 13-23

出版商

Elsevier BV

发表日期

2018-09-22

DOI

10.1016/j.chemphys.2018.09.024

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