Yu-Xiang Bu (Yuxiang Bu)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 39

Top Topics

Electron Transfer

Molecularly Imprinted

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

The journal of physical chemistry letters

Journal of computational chemistry

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

Publications

Li-Ye Liu, Jun Li, Si-Qi Liu, Shi-Hu Du, Muhammad Bilal Ahmed Siddique, Lei Zhang, Yu-Xiang Bu, Shi-Bo Cheng
Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field. The journal of physical chemistry letters 15 (27) (2024)
Li-Ye Liu, Jun Li, Si-Qi Liu, Shi-Hu Du, Muhammad Bilal Ahmed Siddique, Lei Zhang, Yu-Xiang Bu, Shi-Bo Cheng
Beyond Shell-Filling: Strong Enhancement of Electron Affinity of Metal Clusters through a Noninvasive Oriented External Electric Field. The journal of physical chemistry letters (2024)
Ruisi Chang, Shibo Cheng, Yu-Xiang Bu
Clathrate Hydrates as a Kind of Promising Ice Nanoreactors. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Hui Dong, Yiwei Feng, Yu-Xiang Bu
Electron Presolvation in Tetrahydrofuran-Incorporated Supramolecular Sodium Entities. The journal of physical chemistry. A (2023)
Xiao Chen, Yu-Xiang Bu
Enhanced J -Couplings through Specially Solvated Electron in Perfluoro-[ n ]Prismanes and [ n ]Asteranes. The journal of physical chemistry. A (2023)
Fangkun Wang, Yu-Xiang Bu
A Ground-State Dual-Descriptor Strategy for Screening Efficient Singlet Fission Systems. The journal of physical chemistry letters (2023)
Lijuan Xue, Haibei Huang, Suqing Wu, Xinyu Song, Gang Lu, Shi-Bo Cheng, Yu-Xiang Bu
Symmetry-Breaking Manipulated Channel Ergodicity in Intramolecular Singlet Fission Uncovered Statistically by Molecular Dynamics Samplings. Journal of chemical theory and computation (2023)
Rabia Malik, Yu-Xiang Bu
Magnetic coupling modulation in meta -nitroxide-functionalized isoalloxazine magnets with redox-active units as efficient side-modulators. Physical chemistry chemical physics : PCCP (2023)
Xiangyun Zheng, Yu-Xiang Bu
Hydrogen-Bonding-Assisted Substituent Engineering for Modulating Magnetic Spin Couplings and Switching in m -Phenylene Nitroxide Diradicals. The journal of physical chemistry. A (2023)
Yamin Song, Xuexing Lin, Shaofen Yu, Yu-Xiang Bu, Xinyu Song
Hydrogen-migration governed dynamic magnetic coupling characteristics in nitrogen-vacancy-hydrogen nanodiamonds. Physical chemistry chemical physics : PCCP (2023)
Hui Dong, Yiwei Feng, Yu-Xiang Bu
Electron Presolvation in Tetrahydrofuran-Incorporated Supramolecular Sodium Entities. The journal of physical chemistry. A 127 (6) (2023)
Xia Zhao, Xinmin Hu, Xiangying Lv, Yan-Bo Wu, Yu-Xiang Bu, Gang Lu
How hexafluoroisopropanol solvent promotes Diels-Alder cycloadditions: ab initio metadynamics simulations. Physical chemistry chemical physics : PCCP (2023)
Haibei Huang, Lijuan Xue, Gang Lu, Shi-Bo Cheng, Yu-Xiang Bu
Hydrated electrons as nodes in porous clathrate hydrates. The Journal of chemical physics 158 (11) (2023)
Long Chen, Xin Li, Yuxin Xie, Nian Liu, Xin Qin, Xiaohua Chen, Yu-Xiang Bu
Modulation of proton-coupled electron transfer reactions in lysine-containing alpha-helixes: alpha-helixes promoting long-range electron transfer. Physical chemistry chemical physics : PCCP 24 (23) (2022)
Qi Wang, Zhilu Zhang, Haicai Huang, Xinyu Song, Yu-Xiang Bu
Intriguing strain-governed magnetic phase transitions in 2D vanadium porphyrin sheets. Physical chemistry chemical physics : PCCP 24 (6) (2022)
Fengying Zhang, Yiwei Feng, Xinyu Song, Yu-Xiang Bu
Enhancing magnetic coupling through protonation of benzylideneaniline-bridged diradicals and comparison with stilbene- and azobenzene-based diradicals. RSC advances 12 (48) (2022)
Rabia Malik, Yu-Xiang Bu
Intramolecular Proton Transfer Modulation of Magnetic Spin Coupling Interaction in Photochromic Azobenzene Derivatives with an Ortho-Site Hydroxyl as a Modulator. The journal of physical chemistry. A (2022)
Zhilu Zhang, Qi Wang, Yamin Song, Yu-Xiang Bu, Xinyu Song
Endohedral σ-Diradical Nitrogen-Vacancy Diamond Nanoclusters with a Confined Magnetic Space and Strong Electronic Spin Couplings. The journal of physical chemistry. A 126 (20) (2022)
Xiao-Xiao Dong, Yang Zhao, Jun Li, Hao Wang, Yu-Xiang Bu, Shi-Bo Cheng
Dual External Field-Engineered Hyperhalogen. The journal of physical chemistry letters 13 (17) (2022)
Shubo Tian, Bingxue Wang, Wanbing Gong, Zizhan He, Qi Xu, Wenxing Chen, Qinghua Zhang, Youqi Zhu, Jiarui Yang, Qiang Fu, Chun Chen, Yu-Xiang Bu, Lin Gu, Xiaoming Sun, Huijun Zhao, Dingsheng S Wang, Yadong Li
Dual-atom Pt heterogeneous catalyst with excellent catalytic performances for the selective hydrogenation and epoxidation. Nature communications 12 (1) (2021)
Xiufang Song, Yu-Xiang Bu
Electric field controlled uphill electron migration along α-helical oligopeptides. Physical chemistry chemical physics : PCCP 23 (2) (2021)
Ying Zhu, Zhilu Zhang, Xinyu Song, Yu-Xiang Bu
A facile strategy for synthesis of porous Cu2O nanospheres and application as nanozymes in colorimetric biosensing. Journal of materials chemistry. B 9 (16) (2021)
Liang Gao, Liang Zhang, Qiang Fu, Yu-Xiang Bu
Molecular Dynamics Characterization of Dielectron Hydration in Liquid Water with Unique Double Proton Transfers. Journal of chemical theory and computation 17 (2) (2021)
Shan Huang, Liang Gao, Qiang Fu, Yu-Xiang Bu
Regulating Work Function of [Ca24Al28O64]4+:4e- Electrides Via Changing Solvated Electron Characters. The journal of physical chemistry letters 12 (13) (2021)
Lijuan Xue, Xinyu Song, Yiwei Feng, Shi-Bo Cheng, Gang Lu, Yu-Xiang Bu
General Dual-Switched Dynamic Singlet Fission Channels in Solvents Governed Jointly by Chromophore Structural Dynamics and Solvent Impact: Singlet Prefission Energetics Analyses. Journal of the American Chemical Society 142 (41) (2020)
Nabil Omri, Yu-Xiang Bu
TD-DFT Studies on sp- and sp2-Hybridized Single Vacancy-Defected [60]Fullerene: Electronic Excitation and Nonlinear Optical Properties of C59 [9-4] and C59 [8-5] Isomers. The journal of physical chemistry. A 125 (1) (2020)
Yang Zhao, Jing Wang, Hai-Cai Huang, Jun Li, Xiao-Xiao Dong, Jing Chen, Yu-Xiang Bu, Shi-Bo Cheng
Tuning the Electronic Properties and Performance of Low-Temperature CO Oxidation of the Gold Cluster by Oriented External Electronic Field. The journal of physical chemistry letters 11 (3) (2020)
Hai-Cai Huang, Jing Wang, Jun Li, Yang Zhao, Xiao-Xiao Dong, Jing Chen, Gang Lu, Yu-Xiang Bu, Shi-Bo Cheng
Surface Modification Strategy for Promoting the Performance of Non-noble Metal Single-Atom Catalysts in Low-Temperature CO Oxidation. ACS applied materials & interfaces 12 (17) (2020)
Qiang Fu, Fan Wu, Bingxue Wang, Yu-Xiang Bu, Claudia Draxl
Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation. ACS applied materials & interfaces 12 (35) (2020)
Zhiping Wang, Yuri A Dyakov, Yu-Xiang Bu
Dynamics Insight into Isomerization and Dissociation of Hot Criegee Intermediate CH3CHOO. The journal of physical chemistry. A 123 (5) (2019)
Qi Wang, Meiyu Song, Xinyu Song, Yu-Xiang Bu
Unexpected diradical character and large magnetic spin coupling in modified porphyrins induced by inverting pyrrole rings. Physical chemistry chemical physics : PCCP 21 (31) (2019)
Jun Li, Hai-Cai Huang, Jing Wang, Yang Zhao, Jing Chen, Yu-Xiang Bu, Shi-Bo Cheng
Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials. Nanoscale 11 (42) (2019)
Xiufang Song, Qiang Fu, Yu-Xiang Bu
Nonlinear Migration Dynamics of Excess Electrons along Linear Oligopeptides Controlled by an Applied Electric Field. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (11) (2019)
Xiufang Song, Fengying Zhang, Yu-Xiang Bu
Dynamic relaying properties of a β-turn peptide in long-range electron transfer. Journal of computational chemistry 40 (9) (2018)
Changzhe Zhang, Qi Luo, Shibo Cheng, Yu-Xiang Bu
Unusual Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron. The journal of physical chemistry letters 9 (4) (2018)
Changzhe Zhang, Yu-Xiang Bu
Efficient floating diffuse functions for accurate characterization of the surface-bound excess electrons in water cluster anions. Physical chemistry chemical physics : PCCP 19 (4) (2018)
Meiyu Song, Xinyu Song, Yu-Xiang Bu
Spin coupling interactions in C[double bond, length as m-dash]C or B-B-cored porphyrin-mimetic graphene patch nitroxide diradicals. Physical chemistry chemical physics : PCCP 20 (12) (2018)
Yiwei Feng, Fengying Zhang, Xinyu Song, Yu-Xiang Bu
Diradicalized biphenyl derivative carbon-based material molecules: exploring the tuning effects on magnetic couplings. Physical chemistry chemical physics : PCCP 19 (8) (2018)
Peiwen Zhao, Yu-Xiang Bu
Azobenzene-bridged diradical janus nucleobases with photo-converted magnetic properties between antiferromagnetic and ferromagnetic couplings. Journal of computational chemistry 39 (20) (2018)