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Theoretical and Computational Chemistry

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Review

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Last 3 years

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Information-theoretic approach

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3 results in Keywords: Information-theoretic approach

Theoretical and Computational Chemistry

Finite difference representation of information-theoretic approach in density functional theory

Chunna Guo, Meng Li, Chunying Rong, Shubin Liu

Version 1 posted 14 July 2023

158

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Theoretical and Computational Chemistry

Density-based Reactivity Theory Applied to Excited States

Shubin Liu, Xiaoyan An, Wenbiao Zhang, Xin He, Meng Li, CHunying Rong

Version 1 posted 17 November 2023

227

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Theoretical and Computational Chemistry

Development and Applications of the Density-based Theory of Chemical Reactivity

Shubin Liu, Chunying Rong, Dongbo Zhao, Xin He

Version 1 posted 19 October 2022

307

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