Xiang-Yang Liu

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 21

Top Topics

Electron Transfer

Molecular Dynamics

Perovskite Solar Cells

Metal Organic Framework

Top Venues

The journal of physical chemistry. A

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

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

Publications

Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry 89 (16) (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A 128 (34) (2024)
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp 3 Defect: The Importance of Excitonic Effects. The journal of physical chemistry. A 128 (17) (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation (2024)
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui
Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation. Journal of chemical theory and computation 20 (9) (2024)
Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane. The Journal of organic chemistry (2024)
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Ganglong Cui, Xiang-Yang Liu
"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation. The journal of physical chemistry. A 128 (34) (2024)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Shuai Liu, Sha-Sha Liu, Xiao-Mei Tang, Xiang-Yang Liu, Jia-Jia Yang, Ganglong Cui, Laicai Li
Solvent effects on the photoinduced charge separation dynamics of directly linked zinc phthalocyanine-perylenediimide dyads: a nonadiabatic dynamics simulation with an optimally tuned screened range-separated hybrid functional. Physical chemistry chemical physics : PCCP (2023)
Xiang-Yang Liu, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui
Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications. Journal of chemical theory and computation (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters (2023)
Rui-Fang Xie, Jing-Bin Zhang, Yang Wu, Laicai Li, Xiang-Yang Liu, Ganglong Cui
Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube. The Journal of chemical physics 158 (5) (2023)
Kaixun Li, Yun Tong, JinFeng He, Xiang-Yang Liu, Pengzuo Chen
Anion-modulated CoP electrode as bifunctional electrocatalyst for anion-exchange membrane hydrazine-assisted water electrolyser. Materials horizons (2023)
Yun-Hua Zhu, Xin-Xin Liu, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Multiple Photoisomerization Pathways of the Green Fluorescent Protein Chromophore in a Reversibly Photoswitchable Fluorescent Protein: Insights from Quantum Mechanics/Molecular Mechanics Simulations. The journal of physical chemistry letters 14 (10) (2023)
Bin-Bin Xie, Pei-Ke Jia, Ke-Xin Wang, Wen-Kai Chen, Xiang-Yang Liu, Ganglong Cui
Generalized Ab Initio Nonadiabatic Dynamics Simulation Methods from Molecular to Extended Systems. The journal of physical chemistry. A 126 (11) (2022)
Dan Mao, Xin-Rui Chen, Dong-Heng Li, Xiang-Yang Liu, Ganglong Cui, Laicai Li
Ultrafast charge transfer in a nonfullerene all-small-molecule organic solar cell: a nonadiabatic dynamics simulation with optimally tuned range-separated functional. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Shuang Zhang, Ya-Ping Zeng, Xu-Jiang Wan, Dong-Hui Xu, Xiang-Yang Liu, Ganglong Cui, Laicai Li
Ultrafast exciton delocalization and localization dynamics of a perylene bisimide quadruple π-stack: a nonadiabatic dynamics simulation. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Xiang-Yang Liu, Jia-Jia Yang, Wen-Kai Chen, Alexey V Akimov, Wei-Hai Fang, Ganglong Cui
Spin-Orbit Coupling Accelerates the Photoinduced Interfacial Electron Transfer in a Fullerene-Based Perovskite Heterojunction. The journal of physical chemistry letters 12 (4) (2021)
Jia-Jia Yang, Wen-Kai Chen, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui
Spin-Orbit Coupling Is the Key to Promote Asynchronous Photoinduced Charge Transfer of Two-Dimensional Perovskites. JACS Au 1 (8) (2021)