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Journal of Molecular Modeling|September 17, 2024
Information-theoretic quantities as effective descriptors of electrophilicity and nucleophilicity in density functional theoryJia Fu, Meng Li, Chunying Rong, et al.The Journal of Chemical Physics|June 3, 2019
Using Pauli energy to appraise the quality of approximate semilocal non-interacting kinetic energy density functionalsSiyuan Liu, Dongbo Zhao, Chunying Rong, et al.The Journal of Physical Chemistry. A|May 28, 2020
An On-the-Fly Approach to Construct Generalized Energy-Based Fragmentation Machine Learning Force Fields of Complex SystemsZheng Cheng, Dongbo Zhao, Jing Ma, et al.Molecular Biology Reports|September 24, 2013
Linobiflavonoid inhibits human lung adenocarcinoma A549 cells: effect on tubulin proteinDongbo Zhao, Guang Yang, Qingyang Meng, et al.ACS Omega|August 29, 2019
Toward Understanding the Isomeric Stability of Fullerenes with Density Functional Theory and the Information-Theoretic ApproachDongbo Zhao, Siyuan Liu, Chunying Rong, et al.Journal of Surgical Case Reports|March 31, 2026
Spontaneous rupture and hemorrhage of a large simple hepatic cyst following external electrical muscle stimulation: a case managed by emergency laparoscopyWei Feng, Qingwang Ye, Qile Wang, et al.Physical Chemistry Chemical Physics : PCCP|December 23, 2022
Efficient and accurate density-based prediction of macromolecular polarizabilitiesDongbo Zhao, Yilin Zhao, Xin He, et al.The Journal of Chemical Physics|June 24, 2025
Extending the information-theoretic approach from the (one) electron density to the pair densityYilin Zhao, Dongbo Zhao, Chunying Rong, et al.Entropy (Basel, Switzerland)|June 26, 2025
Information Theory Meets Quantum Chemistry: A Review and PerspectiveYilin Zhao, Dongbo Zhao, Chunying Rong, et al.Journal of Molecular Modeling|October 3, 2024
Why are information-theoretic descriptors powerful predictors of atomic and molecular polarizabilitiesYilin Zhao, Dongbo Zhao, Shubin Liu, et al.Pageof 8