A study of the quantitative relation between the radial distribution function and saturated vapor pressure curve in the series of n-alkanes on the basis of a modified linear dynamic model

A new approach to the determination of the quantitative relations between the structure and properties of molecules on the basis of a modified linear dynamic model is suggested. The dependence between the radial distribution function and saturated vapor pressure curve in the series of n -alkanes was...

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Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2012-03, Vol.86 (3), p.349-354
Main Authors: Grigor’ev, V. Yu, Raevskii, O. A.
Format: Article
Language:English
Subjects:
Chemical Thermodynamics and Thermochemistry
Chemistry
Chemistry and Materials Science
Physical Chemistry
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Summary:A new approach to the determination of the quantitative relations between the structure and properties of molecules on the basis of a modified linear dynamic model is suggested. The dependence between the radial distribution function and saturated vapor pressure curve in the series of n -alkanes was studied. It was found that the suggested model could be used not only to reveal correlation dependences between the structure and activity of molecules but also to obtain information about the three-dimensional structure of molecules with the required properties.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024412030120