Graph theoiy

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

On the other hand, chemical structure is algebraically treated in chemical graph theoiy by the so-called molecular graph G. The... 

Karimi, S. Lewinter, M. Stauffer, J. J. Math. Chem., submitted. John, P. Sachs, H. Proceedings of the International Conference on Graph Theoiy Eyba, Teubner Leipzig, 1984 p 80. 

Kasteleyn, P. W. In Graph Theoiy Theoretical Physics, Haraiy, F., Ed. Academic Press New York, 1967 Chapter 2. 

Figure 6 Energy vs. temperature calculated using graph invariant theoiy for a) the ice VII-Vlll, b) Ih-XI, c) Vl-Vl and d) V-XIII systems. Upward and downward triangles indicate results of Metropolis Monte Carlo simulations ascending and descending in tempemture. The dashed line in panel (a) indicates the transition point established by thermodynamic integration. The arrows indicate experimental transition temperatures (not well established for the IIl-lX system).

Chapter 5 by Balaban deals with the methodology of isomer enumeration, a held that continues to challenge us with many fascinating problems. Balaban s discussion embraces not only the traditional techniques adopted for enumeration of chemical species, such as the now classic Pdlya method, but also delves into more recent approaches developed by workers such as Ruch and De Bru n, Haraiy and Palmer. Our final Chapter by Trinajstic elucidates the interplay between graph theory and molecular orbital theoiy from the standpoint of spectral graph theory, and highlights in particular the concept of topological resonance in molecular species. 

Edelmann, F.T. Rare Earth Complexes with Heteroallylic Ligands. 179, 113-148 (1996). Edelmann, F.T. Lanthanide Metallocenes in Homogeneous Catalysis.7 79, 247-276(1996). El-Basil, S. Caterpillar (Gutman) Trees in Chemical Graph Theory. 753, 273-290 (1990). Engel, E. Relativistic Density Functional Theoiy.757, 1-80 (1996)... 

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