Xueguang Shao
chinfo.nankai.edu.cn
0000-0001-5027-4382
315 papers found
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Inclusion Mechanism of Steroid Drugs into β-Cyclodextrins. Insights from Free Energy Calculations
Comparison of the Properties of Bent and Straight Single-Walled Carbon Nanotube Intramolecular Junctions
High-throughput approach for analysis of multicomponent gas chromatographic–mass spectrometric signals
A strategy for enhancing the quantitative determination ability of the diffuse reflectance near-infrared spectroscopy
Analysis of Scopoletin and Caffeic Acid in Tobacco by GC–MS After a Rapid Derivatization Procedure
Extraction of chemical information from complex analytical signals by a non-negative independent component analysis
Immune algorithm: A new chemometrics tool for resolution of multicomponent overlapping chromatographic signals
Construction of the calibration model for near-infrared spectral analysis of complex samples
A weighted multiscale regression for multivariate calibration of near infrared spectra
Determination of seven polyphenols in water by high performance liquid chromatography combined with preconcentration
Structures and stabilities of multi-terminal carbon nanotube junctions
Outlier detection in near-infrared spectroscopic analysis by using Monte Carlo cross-validation
A strategy for enhancing the reliability of near-infrared spectral analysis
Geometry optimization and structural distribution of silver clusters from Ag170 to Ag310
Sequential extraction of mass spectra and chromatographic profiles from overlapping gas chromatography–mass spectroscopy signals
Spatial Arrangement of α-Cyclodextrins in a Rotaxane. Insights from Free-Energy Calculations
A dynamic lattice searching method with interior operation for unbiased optimization of large Lennard-Jones clusters
A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra
Systematic search for energetically favored isomers of large fullerenes C122–C130 and C162–C180
First-principle theoretical study of structures and properties of finite-length Y-shaped carbon nanotubes
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