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Theoretical and Computational Chemistry

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Chunying Rong

5 results in Authors: Chunying Rong

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

148

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Theoretical and Computational Chemistry

Towards a Density-Based Description of Chemical Bonds and Noncovalent Interactions with Pauli Energy

Shubin Liu, Shujing Zhong, Xin He, Siyuan Liu, Bin Wang, Tian Lu, Chunying Rong

Version 1 posted 03 January 2022

288

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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

247

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Theoretical and Computational Chemistry

The Synergetic and Multifaceted Nature of Carbon-Carbon Rotation Reveals the Origin of Stability for Bulky Alkane Dimers

Shubin Liu, Xinjie Wan, Xin He, Meng Li, Bin Wang, Chunying Rong

Version 1 posted 03 January 2022

145

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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

123

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