化学信息学实验室
2016年发表的部分论文目录
2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017
| 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001 | 2000 | 1999 | 1998 | 1997 | 1996 | 1995 | Books
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[1] |
Peng
Liu, Xueguang Shao, Christophe Chipot, Wensheng Cai |
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The true
nature of rotary movements in rotaxanes |
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Chemical Science, 2016, 7(1) : 457-462 |
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[2] |
祁丽华,
蔡文生, 邵学广 |
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直链烷烃近红外光谱的温度效应与应用研究 |
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化学学报,
2016, 74 (2) : 172-178 |
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[3] |
李正风,
徐广晋, 王家俊,
杜国荣, 蔡文生,
邵学广 |
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模型诊断用于近红外光谱建模校正集中奇异样本的识别 |
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分析化学,
2016, 44(2) : 305 - 309 |
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[4] |
Ying Liu,
Christophe Chipot, Xueguang Shao, Wensheng Cai |
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How does
the solvent modulate shuttling in a pillararene/imidazolium [2] rotaxane?
Insights from free energy calculations |
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Journal of Physical Chemistry C, 2016, 120(11): 6287-6293 |
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[5] |
Jiajun
Wang, Zhengfeng Li, Yi Wang, Yan Liu, Wensheng Cai, Xueguang Shao |
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A dual
model strategy to transfer multivariate calibration models for near-infrared
spectral analysis |
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Spectroscopy Letters, 2016, 48(5): 348-354 |
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[6] |
Cuicui
Wang, Wensheng Cai, Xueguang Shao |
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Determination
of bilirubin using near infrared diffuse reflectance spectroscopy with
selective concentration on beta-cyclodextrin |
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Journal of Near Infrared Spectroscopy, 2016, 24(4): 345-352 |
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[7] |
Yan Liu,
Wensheng Cai, Xueguang Shao |
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Linear
model correction: a method for transferring a near-infrared multivariate
calibration model without standard samples |
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Spectrochimica Acta Part A-Molecular and
Biomolecular Spectroscopy, 2016, 169: 197-201 |
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[8] |
Shuangshuang
Wang, Tanfeng Zhao, Xueguang Shao, Christophe Chipot, Wensheng Cai |
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Complex
movements in rotaxanes: shuttling coupled with conformational transition of
cyclodextrins |
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Journal of Physical Chemistry C, 2016, 120(34): 19479-19486 |
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[9] |
Haohao
Fu, Xueguang Shao, Christophe Chipot, Wensheng Cai |
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Extended
adaptive biasing force algorithm. an on-the-fly implementation for accurate
free-energy calculations |
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Journal of Chemical Theory and Computation, 2016, 12(8): 3506-3513 |
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[10] |
Shen
Wen, Shao Xueguang, Cai Wensheng |
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Inclusion
mechanism of cyclodextrins with glutathione |
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Chemical Journal of Chinese Universities, 2016, 37(10): 1809-1816 |
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[11] |
Ma
Xiao-Xu, Wang Cui-Cui, Cai Wen-Sheng, Shao Xue-Guang |
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Quantification
of albumin in urine using preconcentration and near-infrared diffuse
reflectance spectroscopy |
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Chinese Chemical Letters, 2016, 27(10): 1597-1601 |
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[12] |
Xiaoyu
Cui, Wensheng Cai, Xueguang Shao |
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Glucose induced
variation of water structure from temperature dependent near infrared spectra |
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RSC Advances, 2016, 6(107): 105729-105736 |
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[13] |
Zhiyou
Zong, Ronglin He, Haohao Fu, Tanfeng Zhao, Shulin Chen, Xueguang Shao,
Dongyuan Zhang, Wensheng Cai |
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Pretreating
cellulases with hydrophobins for improving bioconversion of cellulose: an
experimental and computational study |
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Green Chemistry, 2016, 18(24) : 6666-6674 |
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[14] |
张伊挺,
王翠翠, 樊梦丽,
蔡文生, 邵学广 |
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基于便携式近红外光谱仪的重金属离子定量分析研究 |
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光谱学与光谱分析,
2016, 36(12): 4100-4104 |
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[15] |
Xihui
Bian, Shujuan Li, Xueguang Shao, Peng Liu |
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Variable
space boosting partial least squares for multivariate calibration of
near-infrared spectroscopy |
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Chemometrics and Intelligent Laboratory Systems, 2016, 158():
174-179 |
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[16] |
Cuicui
Wang, Wensheng Cai, Xueguang Shao |
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Determination
of cysteine using near-infrared diffuse reflectance spectroscopy with
enrichment via thiol-maleimide click reaction |
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Chemical Research in Chinese Universities, 2016, 32(6):912-916 |