Xuefei Xu

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Topics

Density Functional Theory

Helicobacter Pylori Infection

Energy Transfer

Top Venues

Journal of chemical theory and computation

Journal of the American Chemical Society

The journal of physical chemistry. A

Journal of chemical information and modeling

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

Publications

Pengchao Zhang, Muye Feng, Xuefei Xu
Double-Layer Distribution of Hydronium and Hydroxide Ions in the Air-Water Interface. ACS physical chemistry Au 4 (4) (2024)
Pengchao Zhang, Changsheng Chen, Muye Feng, Chao Sun, Xuefei Xu
Hydroxide and Hydronium Ions Modulate the Dynamic Evolution of Nitrogen Nanobubbles in Water. Journal of the American Chemical Society 146 (28) (2024)
Pengchao Zhang, Muye Feng, Xuefei Xu
Double-Layer Distribution of Hydronium and Hydroxide Ions in the Air-Water Interface. ACS physical chemistry Au 4 (4) (2024)
Pengchao Zhang, Axel Tosello Gardini, Xuefei Xu, Michele Parrinello
Intramolecular and Water Mediated Tautomerism of Solvated Glycine. Journal of chemical information and modeling (2024)
Pengchao Zhang, Axel Tosello Gardini, Xuefei Xu, Michele Parrinello
Intramolecular and Water Mediated Tautomerism of Solvated Glycine. Journal of chemical information and modeling 64 (9) (2024)
Pengchao Zhang, Changsheng Chen, Muye Feng, Chao Sun, Xuefei Xu
Hydroxide and Hydronium Ions Modulate the Dynamic Evolution of Nitrogen Nanobubbles in Water. Journal of the American Chemical Society (2024)
Xiaorui Zhao, Yinan Shu, Linyao Zhang, Xuefei Xu, Donald G Truhlar
Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops. Journal of chemical theory and computation (2023)
Wenqi Chen, Pengchao Zhang, Donald G Truhlar, Jingjing Zheng, Xuefei Xu
Correction to "Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions". Journal of chemical theory and computation 19 (9) (2023)
Xiaorui Zhao, Isabella C D Merritt, Ruiqing Lei, Yinan Shu, Denis Jacquemin, Linyao Zhang, Xuefei Xu, Morgane Vacher, Donald G Truhlar
Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation. Journal of chemical theory and computation (2023)
Yan Li, Ying Wang, Rui Ming Zhang, Xiao He, Xuefei Xu
Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics. Journal of chemical theory and computation (2023)
Wenqi Chen, Pengchao Zhang, Donald G Truhlar, Jingjing Zheng, Xuefei Xu
Correction to "Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions". Journal of chemical theory and computation (2023)
Wenqi Chen, Pengchao Zhang, Donald G Truhlar, Jingjing Zheng, Xuefei Xu
Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions. Journal of chemical theory and computation (2022)
Zeyun Zhang, Xuefei Xu
Mechanistic Study on Enhanced Electrocatalytic Nitrogen Reduction Reaction by Mo Single Clusters Supported on MoS 2 . ACS applied materials & interfaces 14 (25) (2022)
Muye Feng, Xiaotong Ma, Zeyun Zhang, Kai Hong Luo, Chao Sun, Xuefei Xu
How sodium chloride extends lifetime of bulk nanobubbles in water. Soft matter 18 (15) (2022)
Rui Ming Zhang, Xuefei Xu, Donald G Truhlar
Observing Intramolecular Vibrational Energy Redistribution via the Short-Time Fourier Transform. The journal of physical chemistry. A 126 (19) (2022)
Rui Ming Zhang, Wenqi Chen, Donald G Truhlar, Xuefei Xu
Master equation study of hydrogen abstraction from HCHO by OH via a chemically activated intermediate. Faraday discussions 238 (0) (2022)
Yan Li, Xuan Guo, Rui Ming Zhang, Hui Zhang, Xin Zhang, Xuefei Xu
Pressure-dependent kinetics of the o -xylene reaction with OH radicals. Physical chemistry chemical physics : PCCP 24 (15) (2022)
Xiaotong Ma, Mingbo Li, Xuefei Xu, Chao Sun
Coupling Effects of Ionic Surfactants and Electrolytes on the Stability of Bulk Nanobubbles. Nanomaterials (Basel, Switzerland) 12 (19) (2022)
Lu Gem Gao, Donald G Fleming, Donald G Truhlar, Xuefei Xu
Large Anharmonic Effects on Tunneling and Kinetics: Reaction of Propane with Muonium. The journal of physical chemistry letters 12 (17) (2021)
Rui Ming Zhang, Xuefei Xu, Donald G Truhlar
Energy Dependence of Ensemble-Averaged Energy Transfer Moments and Its Effect on Competing Decomposition Reactions. The journal of physical chemistry. A 125 (28) (2021)
Zeyun Zhang, Xuefei Xu
Efficient Heteronuclear Diatom Electrocatalyst for Nitrogen Reduction Reaction: Pd-Nb Diatom Supported on Black Phosphorus. ACS applied materials & interfaces 12 (51) (2020)
Rui Ming Zhang, Xuefei Xu, Donald G Truhlar
Low-Pressure Limit of Competitive Unimolecular Reactions. Journal of the American Chemical Society 142 (37) (2020)
Junjun Wu, Lu Gem Gao, Zoltan Varga, Xuefei Xu, Wei Ren, Donald G Truhlar
Water Catalysis of the Reaction of Methanol with OH Radical in the Atmosphere is Negligible. Angewandte Chemie (International ed. in English) 59 (27) (2020)
Junwei Lucas Bao, Bradley K Welch, Inga S Ulusoy, Xin Zhang, Xuefei Xu, Angela K Wilson, Donald G Truhlar
Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium-Ligand Bonds. The journal of physical chemistry. A 124 (47) (2020)
Lu Gem Gao, Rui Ming Zhang, Xuefei Xu, Donald G Truhlar
Quantum Effects on H2 Diffusion in Zeolite RHO: Inverse Kinetic Isotope Effect for Sieving. Journal of the American Chemical Society 141 (34) (2019)
Lu Gem Gao, Jingjing Zheng, Antonio Fernandez-Ramos, Donald G Truhlar, Xuefei Xu
Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures. Journal of the American Chemical Society 140 (8) (2018)
Hui Zhang, Xin Zhang, Donald G Truhlar, Xuefei Xu
Nonmonotonic Temperature Dependence of the Pressure-Dependent Reaction Rate Constant and Kinetic Isotope Effect of Hydrogen Radical Reaction with Benzene Calculated by Variational Transition-State Theory. The journal of physical chemistry. A 121 (47) (2017)