Chunying Rong

A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge

Bin Wang, Chunying Rong, Pratim Kumar Chattaraj et al. · Theoretical Chemistry Accounts · 2019 · 257 citations

Organic Electrochemistry, Biochemistry, Molecular Electrochemistry +7

Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory

Ying Huang, Chunying Rong, Ruiqin Zhang et al. · Journal of Molecular Modeling · 2016 · 221 citations

Excited State Property, Engineering, Physics +9

Information‐theoretic approach in density functional theory and its recent applications to chemical problems

Chunying Rong, Bin Wang, Dongbo Zhao et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2019 · 131 citations

Electron Density, Shannon Entropy, Density Estimation +15

Molecular acidity: An accurate description with information‐theoretic approach in density functional reactivity theory

Xiaofang Cao, Chunying Rong, Aiguo Zhong et al. · Journal of Computational Chemistry · 2017 · 97 citations

Hirshfeld Charge as a Quantitative Measure of Electrophilicity and Nucleophilicity: Nitrogen-Containing Systems

ZHOU Xia-Yu, Chunying Rong, Tian Lu et al. · Acta Physico-Chimica Sinica · 2014 · 74 citations · Full text