QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices

Talanta ◽  
2007 ◽  
Vol 72 (4) ◽  
pp. 1307-1315 ◽  
Author(s):  
F LIU ◽  
Y LIANG ◽  
C CAO ◽  
N ZHOU
Keyword(s):  
Stationary Phases ◽  
Retention Indices ◽  
Topological Indices ◽  
Qspr Study

A CONTRIBUTION TO THE QUALITATIVE GC ANALYSIS OF SOME NON-CHLORINATED XENOBIOTIC CHEMICALS IN WASTE WATERS

1994 ◽  
Vol 30 (3) ◽  
pp. 91-93 ◽  
Author(s):  
Biljana D. Škrbic ◽  
Mirjana B. Vojinovic-Miloradov
Keyword(s):  
Experimental Data ◽  
Stationary Phases ◽  
Retention Indices ◽  
Waste Waters ◽  
Gc Analysis ◽  
Experimental Values ◽  
Xenobiotic Chemicals

Gas chromatographic unified retention indices of some chlorinated xenobiotic chemicals, as pollutants in waste waters, on OV-101 and SE-30 stationary phases are presented. These values agree well with the corresponding experimental values used in the statistical treaunent of the experimental data.

Octane numbers (ONs) of hydrocarbons: a QSPR study using optimal topological indices for the topological equivalents of the ONs

2007 ◽  
Vol 56 (9) ◽  
pp. 1681-1693 ◽  
Author(s):  
E. A. Smolenskii ◽  
A. N. Ryzhov ◽  
V. M. Bavykin ◽  
T. N. Myshenkova ◽  
A. L. Lapidus
Keyword(s):  
Topological Indices ◽  
Qspr Study

scholarly journals The QSPR Study of Butane derivatives: (A Mathematical Approach)

2018 ◽  
Vol 34 (4) ◽  
pp. 1842-1846
Author(s):  
Anjusha Asok ◽  
Joseph Varghese Kureethara
Keyword(s):  
Close Correlation ◽  
Topological Indices ◽  
First Zagreb Index ◽  
Qspr Model ◽  
Zagreb Index ◽  
Hydrogen Bond Acceptor ◽  
Physiochemical Properties ◽  
Qspr Study ◽  
Structural Insight ◽  
Insight Into

The QSPR analysis provides a significant structural insight into the physiochemical properties of Butane derivatives. We study some physiochemical properties of fourteen Butane derivatives and develop a QSPR model using four topological indices and Butane derivatives. Here we analyze how closely the topological indices are related to the physiochemical properties of Butane derivatives. For this we compute analytically the topological indices of Butane derivatives and plot the graphs between each of these topological indices to the properties of Butane derivatives using Origin. This QSPR model exhibits a close correlation between Heavy atomic count, Complexity, Hydrogen bond acceptor count, and Surface tension of Butane derivatives with the Redefined first Zagreb index, the Redefined third Zagreb index, the Sum connectivity index and the Reformulated first Zagreb index, respectively.

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