Publications by authors named "Liu Xiang-Yang"

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Phenolic compounds with anti-neuroinflammatory activities from the heartwood of Caesalpinia sappan L. (Sappan Lignum).
Qi-Qi Wang, Yang Guo, Guo-Qing Qin, Xiang-Yang Liu, Feng Ye

Phytochemistry· January 2026

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Excited-State Wave Functions and Energies Predicted by Machine Learning Based on Graph Neural Networks.
Xiang-Yang Liu, Dongyi Xiao, Wei-Hai Fang, Ganglong Cui

J Chem Theory Comput· September 2025

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Machine Learning Parameters of Optimally Tuned Range-Separated Hybrid Functionals for Transition Metal Complexes.
Xiang-Yang Liu, Qing-Xin Xiang, Sheng-Rui Wang, Dongyi Xiao, Wei-Hai Fang

J Phys Chem Lett· September 2025

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Symmetry Breaking and Solvent Effects Regulated Photoinduced Dynamics in the PDI Dimer Linked via the Imide N-Position: A Nonadiabatic Dynamics Simulation.
Gao-Yi Li, Xin Wei, Hao Zhong, Xiang-Yang Liu, Shu Zhang

J Phys Chem A· July 2025

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Non-adiabatic dynamics simulations reveal the reversal of photoinduced electron transfer in zinc phthalocyanine/endohedral metallofullerene donor-acceptor complexes via substitution and solvent effects.
Xin Wei, Gao-Yi Li, Si-Yu Xiong, Yan Zheng, Laicai Li, Xiang-Yang Liu

J Chem Phys· June 2025

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Meso Hybridized Silk Fibroin Watchband for Wearable Biopotential Sensing and AI Gesture Signaling.
Xiao Wang, Changsheng Lu, Zerong Jiang, Guangwei Shao, Jingzhe Cao

Adv Sci (Weinh)· February 2025

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Frequency-resolved high-pressure transient absorption spectroscopy based on a double-chopper configuration.
Zi-Qian Cheng, Xiao-Shuang Yin, Liu-Xiang Yang, Hui Dong

Rev Sci Instrum· February 2025

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Conformational and Solvent Effects on the Photoinduced Electron Transfer Dynamics of a Zinc Phthalocyanine-Benzoperylenetriimide Conjugate: A Nonadiabatic Dynamics Simulation.
Sha-Sha Liu, Xin Wei, Yan Zheng, Shuai Liu, Dong-Hui Xu, Xiang-Yang Liu

Chemphyschem· January 2025

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QM/MM Calculations on Excited-State Proton Transfer and Photoisomerization of a Red Fluorescent Protein mKeima with Large Stokes Shift.
Guang-Ning Pan, Xiang-Yang Liu, Ganglong Cui, Wei-Hai Fang

Biochemistry· January 2025

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Machine learning accelerated nonadiabatic dynamics simulations of materials with excitonic effects.
Sheng-Rui Wang, Qiu Fang, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui

J Chem Phys· January 2025

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Photoinduced Nonadiabatic Dynamics of a Single-Walled Carbon Nanotube-Porphyrin Complex.
Wen-Kai Chen, Xi Zhao, Xiang-Yang Liu, Xiao-Ying Xie, Yanli Zeng

J Phys Chem A· October 2024

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Two-dimensional silk.
Chenyang Shi, Marlo Zorman, Xiao Zhao, Miquel B Salmeron, Jim Pfaendtner

Sci Adv· September 2024

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Roles of Nonadiabatic Processes, Reaction Mechanism, and Selectivity in Cu-Catalyzed [2 + 2] Photocycloaddition of Norbornene and Acetone to Oxetane.
Ling-Ya Peng, Rui Jin, Shi-Ru Zhang, Xiang-Yang Liu, Wei-Hai Fang

J Org Chem· August 2024

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"On-the-Fly" Nonadiabatic Dynamics Simulation on the Ultrafast Photoisomerization of a Molecular Photoswitch Iminothioindoxyl: An RMS-CASPT2 Investigation.
Kai-Yue Huang, Gao-Yi Li, Xiaoqin Liang, Kai Li, Laicai Li, Xiang-Yang Liu

J Phys Chem A· August 2024

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Flexible Meso Electronics and Photonics Based on Cocoon Silk and Applications.
Changsheng Lu, Xiao Wang, Xiang Yang Liu

ACS Biomater Sci Eng· May 2024

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Photoinduced Dynamics of a Single-Walled Carbon Nanotube with a sp Defect: The Importance of Excitonic Effects.
Yang Zhang, Meng-Ru Jia, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui

J Phys Chem A· May 2024

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Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation.
Xiang-Yang Liu, Sheng-Rui Wang, Wei-Hai Fang, Ganglong Cui

J Chem Theory Comput· May 2024

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The immune cell infiltration-associated molecular subtypes and gene signature predict prognosis for osteosarcoma patients.
Bin Liu, Xiang-Yang Liu, Guo-Ping Wang, Yi-Xin Chen

Sci Rep· March 2024

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Photocatalytic Reduction of CO to HCOOH and CO by a Phosphine-Bipyridine-Phosphine Ir(III) Catalyst: Photophysics, Nonadiabatic Effects, Mechanism, and Selectivity.
Ling-Ya Peng, Guang-Ning Pan, Wen-Kai Chen, Xiang-Yang Liu, Wei-Hai Fang

Angew Chem Int Ed Engl· January 2024

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Design and function of lignin/silk fibroin-based multilayer water purification membranes for dye adsorption.
Yifan Zhang, Simin Peng, Xiaohan Li, Xiaoyou Wang, Jungang Jiang

Int J Biol Macromol· December 2023

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Nonadiabatic Dynamics Simulations for Photoinduced Processes in Molecules and Semiconductors: Methodologies and Applications.
Xiang-Yang Liu, Wen-Kai Chen, Wei-Hai Fang, Ganglong Cui

J Chem Theory Comput· December 2023

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Theoretical insights into the photophysics of an unnatural base Z: A MS-CASPT2 investigation.
Xin-Rui Chen, Wen-Jun Jiang, Qian-Hong Guo, Xiang-Yang Liu, Ganglong Cui

Photochem Photobiol· December 2023

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Preliminary species diversity and community phylogenetics of wood-inhabiting basidiomycetous fungi in the Dabie Mountains, Central China reveal unexpected richness.
Xiang-Yang Liu, Shi-Liang Liu, Hao-Wen Wei, Xue-Wei Wang, Jia Yu

IMA Fungus· November 2023

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Anion-modulated CoP electrode as bifunctional electrocatalyst for anion-exchange membrane hydrazine-assisted water electrolyser.
Kaixun Li, Yun Tong, JinFeng He, Xiang-Yang Liu, Pengzuo Chen

Mater Horiz· October 2023

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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.
Shuai Liu, Sha-Sha Liu, Xiao-Mei Tang, Xiang-Yang Liu, Jia-Jia Yang

Phys Chem Chem Phys· October 2023

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