Wei Wu

ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 33

Top Venues

The Journal of chemical physics

The journal of physical chemistry letters

Molecules (Basel, Switzerland)

Journal of chemical theory and computation

Xiamen University (PHD)

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

Education History

Xiamen University Sep 01 1986 - Dec 01 1989

China

PHD :: Chemistry

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)
Arnav S Malkani, Chan Cao, Chen Zhou, Wei Wu
Hybrid Density Functional Valence Bond Method with Multistate Treatment. Journal of chemical theory and computation (2024)
Arnav S Malkani, Chan Cao, Chen Zhou, Wei Wu
Hybrid Density Functional Valence Bond Method with Multistate Treatment. Journal of chemical theory and computation 20 (3) (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)
Xuhui Lin, Wei Wu, Yirong Mo
Planar Four-Membered Diboron Actinide Compound with Double Möbius Aromaticity. Journal of the American Chemical Society (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)
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)
Peikun Zheng, Wudi Yang, Wei Wu, Oleksandr Isaev, Pavlo O Dral
Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods. The journal of physical chemistry letters 13 (15) (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)
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)
Mingxing Ren, Lina Zhang, Yang Jiao, Zhenhua Chen, Wei Wu
Extended Mulliken-Hush Method with Applications to the Theoretical Study of Electron Transfer. Journal of chemical theory and computation 17 (11) (2021)
Zhenhua Chen, Jinshuai Song, Xun Chen, Chen Zhou, Wei Wu
N-Body Reduced Density Matrix-Based Valence Bond Theory and Its Applications in Diabatic Electronic-Structure Computations. Accounts of chemical research 54 (20) (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)
Benoît Braïda, Zhenhua Chen, Wei Wu, Philippe C Hiberty
Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide. Journal of chemical theory and computation 17 (1) (2020)
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)
Mingxing Ren, Bo Ma, Zhenhua Chen, Wei Wu
Two-Dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-Diabatic Transformation. The journal of physical chemistry letters 10 (19) (2019)
Chen Zhou, Chenyu Zeng, Bo Ma, Fuming Ying, Zhenhua Chen, Wei Wu
Novel implementation of seniority number truncated valence bond methods with applications to H22 chain. The Journal of chemical physics 151 (19) (2019)
Sason S Shaik, David Danovich, John Morrison Galbraith, Benoît Braïda, Wei Wu, Philippe C Hiberty
Charge-Shift Bonding: A New and Unique Form of Bonding. Angewandte Chemie (International ed. in English) 59 (3) (2019)
Junjing Gu, Wei Wu, Thijs Stuyver, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason S Shaik
Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance? Journal of the American Chemical Society 141 (14) (2019)
Xuhui Lin, Wei Wu, Yirong Mo
How Resonance Modulates Multiple Hydrogen Bonding in Self-Assembled Systems. The Journal of organic chemistry 84 (22) (2019)
Xuhui Lin, Wei Wu, Kenneth B Wiberg, Yirong Mo
Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CH4-nX n ( n = 0-4, X = F, Cl, CN, OCH3). The journal of physical chemistry. A 122 (38) (2018)
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)
Changwei Wang, David Danovich, Sason S Shaik, Wei Wu, Yirong Mo
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. Journal of computational chemistry 40 (9) (2018)
Xuhui Lin, Xiaoyu Jiang, Wei Wu, Yirong Mo
Induction, Resonance, and Secondary Electrostatic Interaction on Hydrogen Bonding in the Association of Amides and Imides. The Journal of organic chemistry 83 (21) (2018)
Huaiyu Zhang, Chen Zhou, Yirong Mo, Wei Wu
Performance of the VBSCF method for pericyclic and π bond shift reactions. Journal of computational chemistry 40 (10) (2018)

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Publication Activity (10 Years)

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Wei Wu