Chemical graph theory

El-Basil, S. Caterpillar (Gutman) Trees in Chemical Graph Theory. 153, 273-290 (1990)... 

Dias, J.R. Molecular Orbital Calculations Using Chemical Graph Theory Spring-Verlag Berlin, 1993. 

Lajiness MS. Molecular similarity-based methods for selecting compounds for screening. In Rouvray DH, editor, Computational chemical graph theory. New York Nova Science Publishers, 1990 299-316. 

Kier LB (1990) In Rouvray DH (ed) Computational chemical graph theory. Nova Press, NY, chap 6,p 152... 

N. Trinajstic, Chemical Graph Theory. CRC Press, Boca Raton, FL, 1983. 

Trinajstic, N. Chemical Graph Theory, New York, Chemical Rubber Co., Boca Raton, 1983... 

Application of Chemical Graph Theory for the Estimation of the Dielectric Constant of Polyimides... 

The chapter is divided into the following sections. First, a brief introduction to group contribution methods is given with a major emphasis on the concept and limitations of this technique. An introduction to the use of chemical graph theory and how it applies to polymers and in particular to the dielectric constant is given next. Application of the method to a number of polyimides is then demonstrated and predictions are compared to experimental results. 

Chemical graph theory is based on the observation that the connectivity of a molecule is correlated to many of its intrinsic physical properties. Chemical graph theory has been successful in providing an estimate of the intrinsic properties of various low-molecular-weight compounds when employed together with a regression analysis. ... 

Trinajstic, N., Enumeration of Isomeric Acyclic Structures, in Computational Chemical Graph Theory Characterization, Enumeration and Generation of Chemical Structures by Computer Methods, S. Nikolic et al., Editors, 1991. Ellis Horwood New York. 

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