7
Views
6
CrossRef citations to date
0
Altmetric
Original Articles

DARC “Logic Method” for Molal Volume Prediction

&
Pages 63-75 | Accepted 28 Jul 1992, Published online: 24 Sep 2006

References

  • Rouvray , D. H. 1976 . “ Topological matrix in quantum chemistry ” . In Chemical Applications of Graph Theory , Edited by: Balaban , A. T. 174 – 221 . London : Academic Press .
  • Dubois , J. E. 1976 . “ Ordered chromatic graph and limited environment concept ” . In Chemical Applications of Graph Theory , Edited by: Balaban , A. T. 333 – 370 . London : Academic Press .
  • Wiener , H. 1947 . Structural determination of paraffin boiling points . J. Am. Chem. Soc. , 69 : 17 – 20 .
  • Dubois , J. E. , Loukianoff , M. and Mercier , C. 1992 . Topology and the quest for structural knowledge . J. Chim. Phys. , 89 : 1493 – 1506 .
  • Dubois , J. E. and Carabédian , M. 1991 . Single resonance subspectra substructure investigations of the 13C DARC databank. Representation of local and global topological knowledge . J. Chem. Inf. Comput. Sci. , 31 : 557 – 564 .
  • Dubois , J. E. 1973 . DARC system in chemistry in computer representation and manipulation of chemical information , 239 – 263 . New York : John Wiley & Sons .
  • Carrier , G. , Panaye , A. and Dubois , J. E. 1990 . Topological structural information in the CAS file: Statistical occurrences of DARC concentric fragments. 1. Basic carbon substructure . J. Chem. Inf. Comput. Sci. , 30 : 110 – 121 .
  • Dubois , J. E. , Laurent , D. and Aranda , A. 1973 . Système DARC. XVI-Théorie de topologie information. I. Méthode de perturbation d'environnements limités concentriques ordonnés (PELCO) . J. Chim. Phys. Chim. Biol. , 70 : 1608 – 1616 .
  • Dubois , J. E. , Sobel , Y. and Mercier , C. 1981 . Théorie des graphes chimiques: Méthode DARC-PELCO. Corrélations de topologie-information et concept de régularité . C. R. Acad. Sci. Paris , 292 : 783 – 788 .
  • Dubois , J. E. and Laurent , D. 1968 . Système DARC. Calcul des propriétés globales de molécules focalisées. Méthode de perturbation du topomodèle défocalisé . C.R. Acad. Sci. Paris , 266 : 608 – 611 .
  • Dubois , J. E. 1968 . Le système DARC: La chimie à 1′heure des ordinateurs . Entropie , 21 : 5 – 13 .
  • McGowan , J. C. and Mellors , A. 1986 . Molecular Volumes in Chemistry and Biology: Applications Including Partitioning and Toxicity , 252 Chichester : Ellis Horwood Ltd. .
  • Abernethy , S. G. and McCarthy , L. S. 1988 . Volume Fraction” correlation for narcosis in aquatic organisms: The key role of partitioning . Environ. Toxicol. Chem. , 7 : 469 – 481 .
  • Meyer , A. Y. 1989 . More on the size of molecules . Struct. Chem. , 1 : 265 – 279 .
  • Tatewski , V. M. , Benderskii , V. A. and Yarovoi , S. S. 1961 . Rules and Methods for Calculating Physico-Chemical Properties of Paraffinic Hydrocarbons , 130 London : Pergamon Press .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.