Publications by authors named "Kehe Su"

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Theoretical Investigation of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on Two-Dimensional Tetragonal VC and VC.
Bo Xue, Qingfeng Zeng, Shuyin Yu, Kehe Su

Materials (Basel)· February 2025

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Theoretical Investigation of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on Two-Dimensional Tetragonal MoC.
Bo Xue, Qingfeng Zeng, Shuyin Yu, Kehe Su

Materials (Basel)· December 2024

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Theoretical Investigation of a Novel Two-Dimensional Non-MXene MoC as a Prospective Anode Material for Li- and Na-Ion Batteries.
Bo Xue, Qingfeng Zeng, Shuyin Yu, Kehe Su

Materials (Basel)· August 2024

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Study on molecular mechanisms of destabilizing Aβ(1-42) protofibrils by licochalcone A and licochalcone B using molecular dynamics simulations.
Mei Fang, Kehe Su, Xin Wang, Ping Guan, Xiaoling Hu

J Mol Graph Model· July 2023

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Inhibition Effect and Molecular Mechanisms of Quercetin on the Aβ42 Dimer: A Molecular Dynamics Simulation Study.
Mei Fang, Xin Wang, Kehe Su, Xingang Jia, Ping Guan

ACS Omega· May 2023

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Insights into Molecular Mechanisms of EGCG and Apigenin on Disrupting Amyloid-Beta Protofibrils Based on Molecular Dynamics Simulations.
Mei Fang, Quan Zhang, Ping Guan, Kehe Su, Xin Wang

J Phys Chem B· October 2022

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Inhibition Mechanisms of (-)-Epigallocatechin-3-gallate and Genistein on Amyloid-beta 42 Peptide of Alzheimer's Disease via Molecular Simulations.
Mei Fang, Quan Zhang, Xin Wang, Kehe Su, Ping Guan

ACS Omega· June 2022

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Correction: Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.
Shiyao Wang, Nanxi Miao, Kehe Su, Vladislav A Blatov, Junjie Wang

Nanoscale· June 2021

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Discovery of intrinsic two-dimensional antiferromagnets from transition-metal borides.
Shiyao Wang, Nanxi Miao, Kehe Su, Vladislav A Blatov, Junjie Wang

Nanoscale· May 2021

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Thermo-sensitive surface molecularly imprinted magnetic microspheres based on bio-macromolecules and their specific recognition of bovine serum albumin.
Yufei Wang, Yong Ma, Jingjing Zhou, Kehe Su, Baoliang Zhang

J Sep Sci· March 2020

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Synergetically understanding the interaction between nano/microspheres and peptide for controllable drug loading via experimental and theoretical approaches.
Chunbao Du, Xiaoling Hu, Yuan Cheng, Junfeng Gao, Yong-Wei Zhang, Kehe Su

Mater Sci Eng C Mater Biol Appl· February 2018

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Hydrogen abstraction mechanisms and reaction rates of toluene+NO3.
Yongmei Ma, Kehe Su, Jin Zhang, Yanli Wang, Xin Wang

J Mol Model· August 2015

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Hierarchically porous silicon-carbon-nitrogen hybrid materials towards highly efficient and selective adsorption of organic dyes.
Lala Meng, Xiaofei Zhang, Yusheng Tang, Kehe Su, Jie Kong

Sci Rep· January 2015

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A theoretical investigation on the proton transfer tautomerization mechanisms of 2-thioxanthine within microsolvent and long range solvent.
Hong-Jiang Ren, Ke-He Su, Yan Liu, Xiao-Jun Li, Jun Xiao

J Mol Model· August 2013

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Does the copolymer poly(vinylidene cyanide-tricyanoethylene) possess piezoelectricity?
Zhi-Yin Wang, Ke-He Su, Qiong Xu

J Mol Model· October 2012

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Decomposition reaction rate of BCl3-C3H6(propene)-H2 in the gas phase.
Jun Xiao, Kehe Su, Yan Liu, Hongjiang Ren, Qingfeng Zeng

J Phys Chem A· July 2012

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Reaction rate of propene pyrolysis.
Peipei Han, Kehe Su, Yan Liu, Yanli Wang, Xin Wang

J Comput Chem· October 2011

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Reaction pathways of propene pyrolysis.
Yena Qu, Kehe Su, Xin Wang, Yan Liu, Qingfeng Zeng

J Comput Chem· May 2010

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