Variable Connectivity Index as a Tool for Modeling Structure-Property Relationships
نویسندگان
چکیده
منابع مشابه
Variable connectivity index as a tool for modeling structure-property relationships.
We report on the calculation of normal boiling points for a series of n = 58 aliphatic alcohols using the variable connectivity index in which variables x and y are used to modify the weights on carbon (x) and oxygen atoms (y) in molecular graphs, respectively. The optimal regressions are found for x = 0.80 and y = -0.90. Comparison is made with available regressions on the same data reported p...
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*Soft Condensed Matter Physics Group, University of Queensland Department of Physics, St. Lucia Campus, Brisbane, QLD 4072, Australia Theory of Condensed Matter Physics Group, University of Queensland Department of Physics St. Lucia Campus, Brisbane, QLD 4072, Australia Center for Computational Materials Science, Naval Research Laboratory, Washington, D.C. 20375, USA Lawrence Berkeley National ...
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ژورنال
عنوان ژورنال: Molecules
سال: 2004
ISSN: 1420-3049
DOI: 10.3390/91201177