化学信息学实验室
2020年发表的部分论文目录

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2020

[1] Hong Zhang, Xueguang Shao, Francois Dehez, Wensheng Cai, Christophe Chipot
Modulation of Membrane Permeability by Carbon Dioxide
Journal of Computational Chemistry, 2020, 41: 421–426
[2] Shuangli Du, Han Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai
Free-Energy Landscape of Stepwise, Directional Motion in Multiple Molecular Switches
Journal of Physical Chemistry C, 2020, 124: 6448-6453
[3] Heying Feng, Haohao Fu, Xueguang Shao, Wensheng Cai
Insights into directional movement in molecular machines from free-energy calculations
Physical Chemistry Chemical Physics, 2020, 22: 7888-7893
[4] Yan Sun, Li Ma, Wensheng Cai, Xueguang Shao
Interaction between tau and water during the induced aggregation revealed by near-infrared spectroscopy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 230: 118046
[5] Yan Sun, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
Understanding the complexity of the structures in alcohol solutions by temperature–dependent near–infrared spectroscopy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2020, 229: 117864
[6] Li Han, Xiaoyu Cui, Wensheng Cai, Xueguang Shao
Three–level simultaneous component analysis for analyzing the near–infrared spectra of aqueous solutions under multiple perturbations
Talanta, 2020, 217: 121036