A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION
Multiplicative numerical factors (Fc) were calculated to modificated each term (d i * d j)-0.5 of ¹c v index. The Fc factors were calculated using: nine linear equations system based on the experimental boiling points (B.points,exper.) of nine saturated hydrocarbons, the type of the molecular two-ca...
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| Autor principal: | |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2004
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| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400015 |
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| Sumario: | Multiplicative numerical factors (Fc) were calculated to modificated each term (d i * d j)-0.5 of ¹c v index. The Fc factors were calculated using: nine linear equations system based on the experimental boiling points (B.points,exper.) of nine saturated hydrocarbons, the type of the molecular two-carbon fragment and the number of hydrogen atoms attached to them, that evaluate the chemical graph vertex of the molecule . It was shown for a group of fifty saturated hydrocarbons that smaller differences were obtained between experimental boiling points (B.points,exper.) and those calculated by each (d i * d j)-0.5 * Fc contribution to ¹c v index , than the differences between boiling points (B.points,exper ) and those calculated by means of the linear correlation f: (B.points,exper. ) Æ ¹c |
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