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多氯萘
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  polychlorinated naphthalenes
     Quantitative Relationship Between Gas Chromatographic Retention Indices and Structural Parameters of Polychlorinated Naphthalenes
     多氯萘的气相色谱保留指数与其结构参数的定量关系
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     (Secondly,) another linear QSRR model (model Ⅱ) was achieved by employing the number and (position) of chlorine substitution as descriptors, of which r~2 was (0.9967), and also the main (factors) affecting the retention time of PCNs were investigated.
     再以氯原子的取代个数和相互位置作为理论描述符,得出另一模型(模型Ⅱ)(r2=0.9967)。 找出了影响多氯萘保留时间的主要因素。
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  相似匹配句对
     Multiple target Tracking
     目标跟踪
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     TRACKING OF MULTIPLE TARGETS
     目标跟踪
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     Quantitative Relationship Between Gas Chromatographic Retention Indices and Structural Parameters of Polychlorinated Naphthalenes
     氯萘的气相色谱保留指数与其结构参数的定量关系
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     Simultaneous Determination of Naphthalene , α-Chlorolnaphthalene and P-choronaphthalene by Multivariate factor calibration Spectrophotometric Method
     元系数校正分光光度法同时测定萘,α-氯萘和β-氯萘
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  polychlorinated naphthalene
Distribution of Polychlorinated Naphthalene Congeners in Environmental and Source-Related Samples
      
Polychlorinated naphthalene (CN) congener profiles in
      
  polychlorinated naphthalenes
The polychlorinated naphthalenes are quoted as illustration and a few data of residues in environmental samples are given.
      
Estimation and Prediction of Relative Retention Indices of Polychlorinated Naphthalenes in GC with Molecular Electronegativity D
      
A molecular electronegativity-distance vector (MEDV) is developed to encode the information about molecular structures of polychlorinated naphthalenes (PCNs) and relate to their relative retention indices (RRIs).
      
This has been done for the ClxN (x=1-8) in a technical mixture of polychlorinated naphthalenes (Halowax 1014) and in a MWI fly ash sample.
      
Advances in the environmental analysis of polychlorinated naphthalenes and toxaphene
      
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The structural and thermodynamic properties of 76 polychlorinated naphthalenes (PCNs) were fully computed at B3LYP/6-31G~* level. Both structural and thermodynamic (parameters) of PCNs obtained were consequently taken as theoretical descriptors and correlated with their gas chromatographic retention indices (RI), so as to develop the relevant quantitative structure-retention relationship (QSRR) regression model (model Ⅰ) with r~2 of 0.9957, which possesses high correlation, high predictive power and clear physical...

The structural and thermodynamic properties of 76 polychlorinated naphthalenes (PCNs) were fully computed at B3LYP/6-31G~* level. Both structural and thermodynamic (parameters) of PCNs obtained were consequently taken as theoretical descriptors and correlated with their gas chromatographic retention indices (RI), so as to develop the relevant quantitative structure-retention relationship (QSRR) regression model (model Ⅰ) with r~2 of 0.9957, which possesses high correlation, high predictive power and clear physical interpretations. (Secondly,) another linear QSRR model (model Ⅱ) was achieved by employing the number and (position) of chlorine substitution as descriptors, of which r~2 was (0.9967), and also the main (factors) affecting the retention time of PCNs were investigated.

在B3LYP/6-31G*水平上计算了76个多氯萘分子,将计算得到的结构参数和热力学参数作为理论描述符引入到与气相色谱保留指数(RI)相关的多元回归分析中,建立了拟合度高、物理意义明确、预测能力强的保留时间-结构参数的相关方程(模型Ⅰ)(r2=0.9957);再以氯原子的取代个数和相互位置作为理论描述符,得出另一模型(模型Ⅱ)(r2=0.9967)。找出了影响多氯萘保留时间的主要因素。

 
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