Cuicui Wang, Wensheng Cai, Xueguang Shao


Experimental and chemometric optimization to enhance the performance of near-infrared diffuse reflectance spectroscopy


Analytical Letters, 2018, 51(4): 537-546


Haohao Fu, James C. Gumbart, Haochuan Chen, Xueguang Shao, Wensheng Cai, Christophe Chipot



BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations



Journal of Chemical Information and Modeling, 2018, 58(3): 556-560



Dan Cheng, Wensheng Cai, Xueguang Shao



Understanding the Interaction Between Oligopeptide and Water in Aqueous Solution Using Temperature-Dependent Near-Infrared Spectroscopy



Applied spectroscopy, 2018, 3702818769410 (DOI:10.1177/0003702818769410)



Shuangli Du, Haohao Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai



Water-Controlled Switching in Rotaxanes



Journal of Physical Chemistry C, 2018, 122(16) : 9229-9234



Xueguang Shao, Xiaoyu Cui, Xiaoming Yu, Wensheng Cai



Mutual factor analysis for quantitative analysis by temperature dependent near infrared spectra



Talanta, 2018, 183: 142–148