Breakthrough potential of emerging research topics based on citation diffusion features
Xu, Haiyun, Winnink, Jos, Pang, Hongshen, Wen, Shuhao, Chen, Liang
Published in Journal of information science (01.10.2023)
Published in Journal of information science (01.10.2023)
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Harnessing Cloud Architecture for Crystal Structure Prediction Calculations
Zhang, Peiyu, Wood, Geoffrey P. F, Ma, Jian, Yang, Mingjun, Liu, Yang, Sun, Guangxu, Jiang, Yide A, Hancock, Bruno C, Wen, Shuhao
Published in Crystal growth & design (07.11.2018)
Published in Crystal growth & design (07.11.2018)
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A Theoretical Investigation of the Structural Properties of Chemically Modified Mo-S-I Nanowires
WEN, Shuhao, HOU, Zhufeng, LIU, Jianyong, He, Guozhong
Published in Chinese journal of catalysis (01.07.2010)
Published in Chinese journal of catalysis (01.07.2010)
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Quantifying the Fast Dynamics of HClO in Living Cells by a Fluorescence Probe Capable of Responding to Oxidation and Reduction Events within the Time Scale of Milliseconds
Li, Peng, Jia, Yan, Zhao, Ningjiu, Zhang, Yanan, Zhou, Panwang, Lou, Zhangrong, Qiao, Yan, Zhang, Peiyu, Wen, Shuhao, Han, Keli
Published in Analytical chemistry (Washington) (06.10.2020)
Published in Analytical chemistry (Washington) (06.10.2020)
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A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery
Lin, Zhixiong, Zou, Junjie, Liu, Shuai, Peng, Chunwang, Li, Zhipeng, Wan, Xiao, Fang, Dong, Yin, Jian, Gobbo, Gianpaolo, Chen, Yongpan, Ma, Jian, Wen, Shuhao, Zhang, Peiyu, Yang, Mingjun
Published in Journal of chemical information and modeling (28.06.2021)
Published in Journal of chemical information and modeling (28.06.2021)
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Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods
Greenwell, Chandler, McKinley, Jessica L, Zhang, Peiyu, Zeng, Qun, Sun, Guangxu, Li, Bochen, Wen, Shuhao, Beran, Gregory J O
Published in Chemical science (Cambridge) (28.02.2020)
Published in Chemical science (Cambridge) (28.02.2020)
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Boron Carbides as Efficient, Metal-Free, Visible-Light-Responsive Photocatalysts
Liu, Jikai, Wen, Shuhao, Hou, Yang, Zuo, Fan, Beran, Gregory J. O., Feng, Pingyun
Published in Angewandte Chemie International Edition (11.03.2013)
Published in Angewandte Chemie International Edition (11.03.2013)
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Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin
Yang, Mingjun, Dybeck, Eric, Sun, Guangxu, Peng, Chunwang, Samas, Brian, Burger, Virginia M, Zeng, Qun, Jin, Yingdi, Bellucci, Michael A, Liu, Yang, Zhang, Peiyu, Ma, Jian, Jiang, Yide Alan, Hancock, Bruno C, Wen, Shuhao, Wood, Geoffrey P. F
Published in Crystal growth & design (05.08.2020)
Published in Crystal growth & design (05.08.2020)
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Correction to “A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Prediction: New Opportunities and Challenges for Drug Discovery”
Lin, Zhixiong, Zou, Junjie, Liu, Shuai, Peng, Chunwang, Li, Zhipeng, Wan, Xiao, Fang, Dong, Yin, Jian, Gobbo, Gianpaolo, Chen, Yongpan, Ma, Jian, Wen, Shuhao, Zhang, Peiyu, Yang, Mingjun
Published in Journal of chemical information and modeling (27.09.2021)
Published in Journal of chemical information and modeling (27.09.2021)
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Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
Xue, Bai, Yang, Qingyi, Zhang, Qiaochu, Wan, Xiao, Fang, Dong, Lin, Xiaolu, Sun, Guangxu, Gobbo, Gianpaolo, Cao, Fenglei, Mathiowetz, Alan M., Burke, Benjamin J., Kumpf, Robert A., Rai, Brajesh K., Wood, Geoffrey P. F., Pickard, Frank C., Wang, Junmei, Zhang, Peiyu, Ma, Jian, Jiang, Yide Alan, Wen, Shuhao, Hou, Xinjun, Zou, Junjie, Yang, Mingjun
Published in Journal of chemical theory and computation (23.01.2024)
Published in Journal of chemical theory and computation (23.01.2024)
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Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methods† †Electronic supplementary information (ESI) available: Additional computational details, tables of energies, analysis of model convergence, & optimized crystal structures. See DOI: 10.1039/c9sc05689k
Greenwell, Chandler, McKinley, Jessica L., Zhang, Peiyu, Zeng, Qun, Sun, Guangxu, Li, Bochen, Wen, Shuhao, Beran, Gregory J. O.
Published in Chemical science (Cambridge) (14.01.2020)
Published in Chemical science (Cambridge) (14.01.2020)
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Crystal Polymorphism in Oxalyl Dihydrazide: Is Empirical DFT‑D Accurate Enough?
Wen, Shuhao, Beran, Gregory J. O
Published in Journal of chemical theory and computation (14.08.2012)
Published in Journal of chemical theory and computation (14.08.2012)
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Ultra-low resistance at TTF-TCNQ organic interfaces
Wen, Shuhao, Deng, Wei-Qiao, Han, Ke-Li
Published in Chemical communications (Cambridge, England) (28.07.2010)
Published in Chemical communications (Cambridge, England) (28.07.2010)
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Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity
Huang, Jindou, Wen, Shuhao, Liu, Jianyong, He, Guozhong
Published in Journal of natural gas chemistry (01.05.2012)
Published in Journal of natural gas chemistry (01.05.2012)
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Visible-light-responsive copper( ii ) borate photocatalysts with intrinsic midgap states for water splitting
Liu, Jikai, Wen, Shuhao, Zou, Xiaoxin, Zuo, Fan, Beran, Gregory J. O., Feng, Pingyun
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2013)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2013)
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