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- W2371020136 abstract "The molecular structure matrixes were founded according to the molecular structure of alkanes,then the molecular structure parameters(pi and qj)were Constructed based on 1-norm of row vector and column vector of the molecular structure matrixes.The quantitative structure-property relationship(QSPR) of boiling point of 39 alkanes were studied,and the obtained multiple linear regres-sion model was: Tb=31.187p0+17.528p1+16.091p2+15.473p-1+7.313q2+11.255q3+3.479q4-3.376q5-142.475, r = 0.997.The studied results show that molecular structure parameter Pi,qj.Simple are easy,and the boiling point of alkanes has good correlation and the excellent structural selectivity." @default.
- W2371020136 created "2016-06-24" @default.
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- W2371020136 date "2012-01-01" @default.
- W2371020136 modified "2023-09-27" @default.
- W2371020136 title "QSPR Research on the Boiling Point of Alkanes Based on Molecular Structure Matrix" @default.
- W2371020136 hasPublicationYear "2012" @default.
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