Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems

FuKit Sheong, Jing-Xuan Zhang, Zhenyang Lin. Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems. Journal of Computational Chemistry, 40(10):1172-1184, 2019. [doi]

Authors

FuKit Sheong

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Jing-Xuan Zhang

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Zhenyang Lin

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