uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
On the relation between retention indexes and the interaction between the solute and the column in gas-liquid chromatography
Show others and affiliations
1996 (English)In: Journal of chemical information and computer sciences, ISSN 0095-2338, E-ISSN 1520-5142, Vol. 36, no 6, 1153-1161 p.Article in journal (Refereed) Published
Abstract [en]

Gas-liquid chromatography retention indexes for organic molecules are determined by the interaction between the molecule and the column liquid phase. In this article, a model for calculating the interaction energy between a molecule and a dielectric wall is developed. The model is at least to our knowledge the first attempt to predict retention indexes from the interaction between the molecules and the column. This approach to predict retention indexes is radically different from methods proposed before. Earlier predictions of the retention indexes have been done by a large number of descriptors, which were Linearly correlated to the retention indexes. The developed model has been tested for polycyclic aromatic hydrocarbons mainly with a molecular weight of 302. For the molecules with MW 302 the obtained correlation coefficient is 0.92. A somewhat simpler model is used to fit PAH with different MWs. A correlation coefficient of 0.998 is obtained if the retention indexes were fitted to the logarithm of the interaction energies between the PAHs and the column.

Place, publisher, year, edition, pages
1996. Vol. 36, no 6, 1153-1161 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-143932DOI: 10.1021/ci960345uISI: A1996VU80600016OAI: oai:DiVA.org:uu-143932DiVA: diva2:391974
Note
Symposium on Frontiers in Mathematical Chemistry - Novel Directions in QSAR, at PACIFICHEM 1995, HONOLULU, HI, DEC, 1995Available from: 2011-01-25 Created: 2011-01-25 Last updated: 2017-12-11Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Lindh, Roland

Search in DiVA

By author/editor
Lindh, Roland
In the same journal
Journal of chemical information and computer sciences
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 785 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf