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'
biradical' in IUPAC
‘
Diradicaloid’ in Wikipedia
Aron J. Cohen, Paula Mori-Sánchez, and Weitao Yang; Challenges for Density Functional Theory. Chemical Reviews 2012.112 (1), 289-320.
Haoyu S. Yu, Shaohong L. Li, Donald G. Truhlar; Perspective: Kohn-Sham density functional theory descending a staircase.
J. Chem. Phys.
7 October 2016; 145 (13): 130901.
讨论一下自旋极化单重态是否合理 (出处: 计算化学公社)