Dongbo Zhao

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 23

Top Topics

Energy Transfer

Randomized Controlled Trial

Density Functional Theory

Top Venues

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

Journal of chemical theory and computation

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Dongbo Zhao, Yilin Zhao, Tianlv Xu, Xin He, Shankai Hu, Paul W Ayers, Shubin Liu
Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters. Molecules (Basel, Switzerland) 29 (7) (2024)
Dongbo Zhao, Yilin Zhao, Enhua Xu, Wenqi Liu, Paul W Ayers, Shubin Liu, Dahua Chen
Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates. Journal of chemical theory and computation (2024)
Xin He, Meng Li, Chunying Rong, Dongbo Zhao, Wenjian Liu, Paul W Ayers, Shubin Liu
Some Recent Advances in Density-Based Reactivity Theory. The journal of physical chemistry. A (2024)
Dongbo Zhao, Yilin Zhao, Tianlv Xu, Xin He, Shankai Hu, Paul W Ayers, Shubin Liu
Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters. Molecules (Basel, Switzerland) 29 (7) (2024)
Dongbo Zhao, Yilin Zhao, Tianlv Xu, Xin He, Shankai Hu, Paul W Ayers, Shubin Liu
Chiral Jahn-Teller Distortion in Quasi-Planar Boron Clusters. Molecules (Basel, Switzerland) 29 (7) (2024)
Xin He, Meng Li, Chunying Rong, Dongbo Zhao, Wenjian Liu, Paul W Ayers, Shubin Liu
Some Recent Advances in Density-Based Reactivity Theory. The journal of physical chemistry. A 128 (7) (2024)
Dongbo Zhao, Yilin Zhao, Enhua Xu, Wenqi Liu, Paul W Ayers, Shubin Liu, Dahua Chen
Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates. Journal of chemical theory and computation (2024)
Dongbo Zhao, Yilin Zhao, Enhua Xu, Wenqi Liu, Paul W Ayers, Shubin Liu, Dahua Chen
Fragment-Based Deep Learning for Simultaneous Prediction of Polarizabilities and NMR Shieldings of Macromolecules and Their Aggregates. Journal of chemical theory and computation 20 (6) (2024)
Jingwen Zhang, Xin He, Bin Wang, Chunying Rong, Dongbo Zhao, Shubin Liu
Density-based quantification of steric effects: validation by Taft steric parameters from acid-catalyzed hydrolysis of esters. Physical chemistry chemical physics : PCCP (2024)
Dongbo Zhao, Yilin Zhao, Xin He, Paul W Ayers, Shubin Liu
Efficient and accurate density-based prediction of macromolecular polarizabilities. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Meng Li, Xinjie Wan, Chunying Rong, Dongbo Zhao, Shubin Liu
Directionality and additivity effects of molecular acidity and aromaticity for substituted benzoic acids under external electric fields. Physical chemistry chemical physics : PCCP (2023)
Dongbo Zhao, Xin He, Paul W Ayers, Shubin Liu
Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study. Molecules (Basel, Switzerland) 28 (6) (2023)
Dongbo Zhao, Xin He, Paul W Ayers, Shubin Liu
Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study. Molecules (Basel, Switzerland) 28 (6) (2023)
Dongbo Zhao, Yilin Zhao, Xin He, Paul W Ayers, Shubin Liu
Efficient and accurate density-based prediction of macromolecular polarizabilities. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Dongbo Zhao, Yilin Zhao, Xin He, Paul W Ayers, Shubin Liu
Efficient and accurate density-based prediction of macromolecular polarizabilities. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Dongbo Zhao, Yilin Zhao, Xin He, Yunzhi Li, Paul W Ayers, Shubin Liu
Accurate and Efficient Prediction of Post-Hartree-Fock Polarizabilities of Condensed-Phase Systems. Journal of chemical theory and computation (2023)
Dongbo Zhao, Xin He, Paul W Ayers, Shubin Liu
Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study. Molecules (Basel, Switzerland) 28 (6) (2023)
Xin He, Chunna Guo, Meng Li, Shujing Zhong, Xinjie Wan, Chunying Rong, Pratim K Chattaraj, Dongbo Zhao
Revisiting the trapping of noble gases (He-Kr) by the triatomic H 3 + and Li 3 + species: a density functional reactivity theory study. Journal of molecular modeling 28 (5) (2022)
Chunying Rong, Dongbo Zhao, Xin He, Shubin Liu
Development and Applications of the Density-Based Theory of Chemical Reactivity. The journal of physical chemistry letters 13 (48) (2022)
Dongbo Zhao, Yilin Zhao, Xin He, Paul W Ayers, Shubin Liu
Efficient and accurate density-based prediction of macromolecular polarizabilities. Physical chemistry chemical physics : PCCP (2022)
Dongbo Zhao, Shubin Liu, Dahua Chen
A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides. Pharmaceuticals (Basel, Switzerland) 15 (8) (2022)
Dongbo Zhao, Xin He, Meng Li, Bin Wang, Chunna Guo, Chunying Rong, Pratim Kumar Chattaraj, Shubin Liu
Density functional theory studies of boron clusters with exotic properties in bonding, aromaticity and reactivity. Physical chemistry chemical physics : PCCP 23 (42) (2021)
Dongbo Zhao, Xiaoling Shen, Zheng Cheng, Wei Li, Hao Dong, Shu-Hua Li
Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method. Journal of chemical theory and computation 16 (5) (2020)