Peifeng Su

Loop profile ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 22

Top Topics

Density Functional Theory

Preterm Infants

Perovskite Solar Cells

Energy Transfer

Top Venues

The journal of physical chemistry letters

The Journal of chemical physics

Molecules (Basel, Switzerland)

The journal of physical chemistry. A

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

Publications

Xuewei Xiong, Ran Friedman, Wei Wu, Peifeng Su
QM/MM-Based Energy Decomposition Analysis Method for Large Systems. The journal of physical chemistry. A 128 (18) (2024)
Xuewei Xiong, Ran Friedman, Wei Wu, Peifeng Su
QM/MM-Based Energy Decomposition Analysis Method for Large Systems. The journal of physical chemistry. A (2024)
Yuan Xu, Shu Zhang, Wei Wu, Peifeng Su
Assessments of DFT-based energy decomposition analysis methods for intermolecular interactions. The Journal of chemical physics 158 (12) (2023)
Zhen Tang, Boxiao Shao, Wei Wu, Peifeng Su
Energy decomposition analysis methods for intermolecular interactions with excited states. Physical chemistry chemical physics : PCCP (2023)
Wei Wang, Wei Wu, Peifeng Su
Radical Pairing Interactions and Donor-Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion Complexes. Molecules (Basel, Switzerland) 28 (5) (2023)
Wei Wang, Wei Wu, Peifeng Su
Radical Pairing Interactions and Donor-Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion Complexes. Molecules (Basel, Switzerland) 28 (5) (2023)
Wei Wang, Wei Wu, Peifeng Su
Radical Pairing Interactions and Donor-Acceptor Interactions in Cyclobis(paraquat-p-phenylene) Inclusion Complexes. Molecules (Basel, Switzerland) 28 (5) (2023)
Rui Liu, Zhiyuan Zhang, Longxiang Yan, Xinrui Yang, Yu Zhu, Peifeng Su, Huajie Song, Zhigang Wang
The Influence of Hydrogen Bonds on the Roaming Reaction. The journal of physical chemistry letters (2023)
Yuan Xu, Shu Zhang, Erik Lindahl, Ran Friedman, Wei Wu, Peifeng Su
A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules. The Journal of chemical physics 157 (3) (2022)
Yang Zhang, Xun Wu, Peifeng Su, Wei Wu
Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective. Journal of physics. Condensed matter : an Institute of Physics journal 34 (29) (2022)
Dajiang Huang, Fuming Ying, Sifeng Chen, Chen Zhou, Peifeng Su, Wei Wu
Metal-Ligand Bonds in Rare Earth Metal-Biphenyl Complexes. Inorganic chemistry 61 (21) (2022)
Xiaoyang Qu, Lina Dong, Yu-Bing Si, Yuan Zhao, Qiantao Wang, Peifeng Su, Binju Wang
Reliable Prediction of the Protein-Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl Kinase. Journal of chemical theory and computation 18 (3) (2022)
Peikun Zheng, Chenru Ji, Fuming Ying, Peifeng Su, Wei Wu
A Valence-Bond-Based Multiconfigurational Density Functional Theory: The λ-DFVB Method Revisited. Molecules (Basel, Switzerland) 26 (3) (2021)
Zhen Tang, Yanlin Song, Shu Zhang, Wei Wang, Yuan Xu, Di Wu, Wei Wu, Peifeng Su
XEDA, a fast and multipurpose energy decomposition analysis program. Journal of computational chemistry 42 (32) (2021)
Yang Zhang, Wei Wang, Benjamin Lasorne, Peifeng Su, Wei Wu
Correction to "Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach". The journal of physical chemistry letters 12 (11) (2021)
Yuan Xu, Ran Friedman, Wei Wu, Peifeng Su
Understanding intermolecular interactions of large systems in ground state and excited state by using density functional based tight binding methods. The Journal of chemical physics 154 (19) (2021)
Yang Zhang, Wei Wang, Benjamin Lasorne, Peifeng Su, Wei Wu
Diabatization around Conical Intersections with a New Phase-Corrected Valence-Bond-Based Compression Approach. The journal of physical chemistry letters 12 (7) (2021)
Yang Zhang, Peifeng Su, Benjamin Lasorne, Benoît Braïda, Wei Wu
A Novel Valence-Bond-Based Automatic Diabatization Method by Compression. The journal of physical chemistry letters 11 (13) (2020)
Zhen Tang, Zhen Jiang, Hongjiang Chen, Peifeng Su, Wei Wu
Energy decomposition analysis based on broken symmetry unrestricted density functional theory. The Journal of chemical physics 151 (24) (2020)
Dan Shen, Peifeng Su, Wei Wu
What kind of neutral halogen bonds can be modulated by solvent effects? Physical chemistry chemical physics : PCCP 20 (41) (2018)
Yang Zhang, Sifeng Chen, Fuming Ying, Peifeng Su, Wei Wu
Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation-π Interactions. The journal of physical chemistry. A 122 (27) (2018)
Chen Zhou, Yang Zhang, Xiping Gong, Fuming Ying, Peifeng Su, Wei Wu
Hamiltonian Matrix Correction Based Density Functional Valence Bond Method. Journal of chemical theory and computation 13 (2) (2017)