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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| Lenguaje: | English |
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Sociedad Chilena de Química
2004
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oai:scielo:S0717-970720040004000152005-09-13A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATIONCORNWELL,EDWARDMultiplicative 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 ¹cinfo:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.49 n.4 20042004-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400015en10.4067/S0717-97072004000400015 |
| institution |
Scielo Chile |
| collection |
Scielo Chile |
| language |
English |
| description |
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 |
| author |
CORNWELL,EDWARD |
| spellingShingle |
CORNWELL,EDWARD A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| author_facet |
CORNWELL,EDWARD |
| author_sort |
CORNWELL,EDWARD |
| title |
A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| title_short |
A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| title_full |
A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| title_fullStr |
A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| title_full_unstemmed |
A NEW PROCEDURE FOR THE CHEMICAL CONNECTIVITY INDEX APPLICATION |
| title_sort |
new procedure for the chemical connectivity index application |
| publisher |
Sociedad Chilena de Química |
| publishDate |
2004 |
| url |
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072004000400015 |
| work_keys_str_mv |
AT cornwelledward anewprocedureforthechemicalconnectivityindexapplication AT cornwelledward newprocedureforthechemicalconnectivityindexapplication |
| _version_ |
1718445344769966080 |