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Xiangqian Hu

Duke University

23H指数
45论文数
2.1K被引数
收录论文 24
发表时间
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Excited-State Dynamics and Nonlinear Optical Properties of Hyperpolarizable Chromophores Based on Conjugated Bis(terpyridyl)Ru(II) and Palladium and Platinum Porphyrinic Components: Impact of Heavy Metals upon Supermolecular Electro-Optic Properties
errINORGANIC CHEMISTRY
IF4.7
err2021-09-29
err1
errOAAI
errNayak, Animesh; Park, Jaehong; De Mey, Kurt; Hu, Xiangqian; Beratan, David N.; Clays, Koen; Therien, Michael J.
err分享
err收藏
Laser-Controlled Fano Resonance Sensing Based on WGM Coupling in Eccentric Hole Fibers Integrated With Azobenzene
errJOURNAL OF LIGHTWAVE TECHNOLOGY
IF4.8
err2021-01-01
err8
PREAI
errHu, Xiangqian; Zhang, Hao; Lin, Wei; Wang, Yujia; Liu, Bo
err分享
err收藏
Accurate Quantum Mechanical/Molecular Mechanical Calculations of Reduction Potentials in Azurin Variants
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-24
err19
errOAAI
errShen, Lin; Zeng, Xiancheng; Hu, Hao; Hu, Xiangqian; Yang, Weitao
err分享
err收藏
Large Hyperpolarizabilities at Telecommunication-Relevant Wavelengths in Donor-Acceptor-Donor Nonlinear Optical Chromophores在供体-受体-供体非线性光学生色团中与电信相关的波长处具有较大的超极化率
errACS CENTRAL SCIENCE
IF10.4
err2016-12-16
err56
errOAAI
errNayak, Animesh; Park, Jaehong; De Mey, Kurt; Hu, Xiangqian; Duncan, Timothy V.; Beratan, David N.; Clays, Koen; Therien, Michael J.
err分享
err收藏
Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-08-14
err12
PREAI
errLiu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao
err分享
err收藏
Contributions of Pauli Repulsions to the Energetics and Physical Properties Computed in QM/MM Methods保利排斥对QM/MM方法计算的能量和物理性质的贡献
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-08-06
err12
PREAI
errJin, Yingdi; Johnson, Erin R.; Hu, Xiangqian; Yang, Weitao; Hu, Hao
err分享
err收藏
Triplet Excitation Energy Dynamics in Metal-Organic Frameworks
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2013-07-24
err63
PREAI
errLin, Jiaxing; Hu, Xiangqian; Zhang, Peng; Van Rynbach, Andre; Beratan, David N.; Kent, Caleb A.; Mehl, Brian P.; Papanikolas, John M.; Meyer, Thomas J.; Lin, Wenbin; Skourtis, Spiros S.; Constantinou, Marios
err分享
err收藏
Noncovalent Interaction Analysis in Fluctuating Environments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-04-04
err186
errOAAI
errWu, Pan; Chaudret, Robin; Hu, Xiangqian; Yang, Weitao
err分享
err收藏
Fragment-Based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+-Ru3+ Self-Exchange Electron Transfer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-11-05
err20
errOAAI
errZeng, Xiancheng; Hu, Xiangqian; Yang, Weitao
err分享
err收藏
Variational fractional-spin density-functional theory for diradicals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-09-21
err31
PREAI
errPeng, Degao; Hu, Xiangqian; Devarajan, Deepa; Ess, Daniel H.; Johnson, Erin R.; Yang, Weitao
err分享
err收藏
Tension Trapping of Carbonyl Ylides Facilitated by a Change in Polymer Backbone
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2012-05-31
err101
PREAI
errKlukovich, Hope M.; Kean, Zachary S.; Ramirez, Ashley L. Black; Lenhardt, Jeremy M.; Lin, Jiaxing; Hu, Xiangqian; Craig, Stephen L.
err分享
err收藏
Theoretical study of catalytic mechanism for single-site water oxidation process单位点水氧化过程催化机理的理论研究
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2012-05-21
err54
errOAAI
errLin, Xiangsong; Hu, Xiangqian; Concepcion, Javier J.; Chen, Zuofeng; Liu, Shubin; Meyer, Thomas J.; Yang, Weitao
err分享
err收藏
Exploring biological electron transfer pathway dynamics with the Pathways Plugin for VMD
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2012-02-01
err87
errOAAI
errBalabin, Ilya A.; Hu, Xiangqian; Beratan, David N.
err分享
err收藏
Autocatalytic Intramolecular Isopeptide Bond Formation in Gram-Positive Bacterial Pili: A QM/MM Simulation
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2010-12-13
err45
errOAAI
errHu, Xiangqian; Hu, Hao; Melvin, Jeffrey A.; Clancy, Kathleen W.; McCafferty, Dewey G.; Yang, Weitao
err分享
err收藏
A Gradient-Directed Monte Carlo Approach for Protein Design
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2010-06-07
err10
PREAI
errHu, Xiangqian; Hu, Hao; Beratan, David N.; Yang, Weitao
err分享
err收藏
Concerted O atom-proton transfer in the O-O bond forming step in water oxidation水氧化中O-O键形成步骤中O原子-质子的协同转移
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2010-04-01
err312
errOAAI
errChen, Zuofeng; Concepcion, Javier J.; Hu, Xiangqian; Yang, Weitao; Hoertz, Paul G.; Meyer, Thomas J.
err分享
err收藏
Accelerating self-consistent field convergence with the augmented Roothaan-Hall energy function
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2010-02-04
err78
errOAAI
errHu, Xiangqian; Yang, Weitao
err分享
err收藏
Predicting the Frequency Dispersion of Electronic Hyperpolarizabilities on the Basis of Absorption Data and Thomas-Kuhn Sum Rules
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2010-01-15
err65
errOAAI
errHu, Xiangqian; Xiao, Dequan; Keinan, Shahar; Asselberghs, Inge; Therien, Michael J.; Clays, Koen; Yang, Weitao; Beratan, David N.
err分享
err收藏
A gradient-directed Monte Carlo method for global optimization in a discrete space: Application to protein sequence design and folding
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-10-21
err15
errOAAI
errHu, Xiangqian; Beratan, David N.; Yang, Weitao
err分享
err收藏
Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-04-24
err39
errOAAI
errZeng, Xiancheng; Hu, Hao; Hu, Xiangqian; Yang, Weitao
err分享
err收藏

研究方向

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合作学者
合作期刊
林文斌 封面图
林文斌 (Wenbin Lin)
H 指数: 147 · 论文数: 768
T
Thomas J. Meyer
H 指数: 131 · 论文数: 1.4K
刘洋 封面图
刘洋 (Yang Liu)
H 指数: 128 · 论文数: 2.2K
刘
刘波 (Bo Liu)
H 指数: 104 · 论文数: 4.5K
W
Weitao Yang
H 指数: 96 · 论文数: 563
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