ing graph theory to chemical kinetics and the mechanistic theory of complex reactions. Depicting Linear Mechanisms. Graphs and diagrams of various typ...
Sep 24, 1996 - Lomonosov State Academy of Fine Chemical Technology, Moscow, ... of the multiroute reactions is made using the bipartite graph method.
These subgraphs are the internal representations for a given class of reaction thus allowing for ..... exchange of molecular data with other modules for obtaining.
Enumeration, Coding, and Complexity of Linear Reaction Mechanisms. Ekaterina Gordeeva , Danail Bonchev , Dimitar Kamenski , and Oleg N. Temkin. Journal of Chemical Information and Computer Sciences 1994 34 (2), 436-445. Abstract | PDF | PDF w/ Links
Dec 14, 2002 - We present an application of the chemical graph theory approach for generating elementary reactions of complex systems. Molecular species ...
quantifying the rate of a fast liquid-phase reaction, the hydrolysis of chlorine. ... are interpreted by using the penetration theory for mass transfer in a laminar ...
Chemical Applications of Graph Theory. Part I. Fundamentals and Topological Indices. Peter J. Hansen and Peter C. Jurs. Pennsylvania State University, University Park, PA 16802. Graph theory is a subdiscipline of mathematics that is closely related t
such as "Draw structural formulas for all of the isomers of heptane". ... For simple problems ..... possible solutions to a structure elucidation problem from.
graph theory (5). As evidenced bv the above. eraoh theon, is hv no means a ." . new field of mathematics nor an area thatiacksapplications in other disciplines.
Jorge Gálvez is Senior Professor of Physical Chemistry at the University of ... of the Spanish Ministry of Foreign Affaires and of the Romanian Ministry of Education, at the .... Blanco , Jaime Rubio-Martinez , Darren Fayne , and David G. Lloyd.
May 1, 2002 - Contributions to the Theory of Chemical Kinetics. A Study of the Connection between Thermodynamics and Chemical Rate Processes.
